----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:46:49]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.919010085000000 5.149381070000000 4.048172280000001 b 2.919010085000000 -5.149381070000000 4.048172280000001 c 2.919010085000000 5.149381070000000 -4.048172280000001 Atomic positions (fractional): *1 Li 0.40030791946519 0.15030791946519 0.25000000000000 6.941 2 Li 0.59969208053481 0.84969208053481 0.75000000000000 6.941 *3 B 0.22682148492992 0.82298253914032 0.72095322575334 10.811 *4 B 0.23084252756854 0.88083839482589 0.35000413274265 10.811 *5 B 0.37653212874213 0.20736390098473 0.67139909839529 10.811 6 B 0.62346787125787 0.29486696965317 0.83083177224260 10.811 7 B 0.03596480258944 0.70513303034683 0.82860090160471 10.811 8 B 0.96403519741056 0.79263609901527 0.66916822775740 10.811 9 B 0.62346787125787 0.79263609901527 0.32860090160471 10.811 10 B 0.37653212874213 0.70513303034683 0.16916822775740 10.811 11 B 0.96403519741056 0.29486696965317 0.17139909839529 10.811 12 B 0.03596480258944 0.20736390098473 0.33083177224260 10.811 13 B 0.60202931338699 0.50586825917659 0.77904677424666 10.811 14 B 0.39797068661301 0.17701746085968 0.90383894578960 10.811 15 B 0.39797068661301 0.49413174082341 0.22095322575333 10.811 16 B 0.77317851507008 0.49413174082341 0.59616105421040 10.811 17 B 0.60202931338699 0.82298253914032 0.09616105421040 10.811 18 B 0.03083426208325 0.88083839482589 0.14999586725735 10.811 19 B 0.77317851507008 0.17701746085968 0.27904677424666 10.811 20 B 0.22682148492992 0.50586825917659 0.40383894578960 10.811 *21 B 0.24389532957856 0.32928004866009 0.91461528091847 10.811 22 B 0.75610467042144 0.67071995133991 0.08538471908153 10.811 23 B 0.91466476774162 0.32928004866009 0.58538471908153 10.811 24 B 0.08533523225838 0.67071995133991 0.41461528091847 10.811 *25 B 0.36470249947738 0.53105937124296 0.83364312823442 10.811 26 B 0.63529750052262 0.46894062875704 0.16635687176558 10.811 27 B 0.19741624300855 0.53105937124296 0.66635687176558 10.811 28 B 0.80258375699145 0.46894062875704 0.33364312823442 10.811 29 B 0.96916573791675 0.11916160517411 0.85000413274265 10.811 30 B 0.76915747243146 0.11916160517411 0.64999586725736 10.811 *31 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 32 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.838020170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.298762140000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.096344560000002 Atomic positions (fractional): *1 Li 0.50000000000000 0.75000000000000 0.65030791946519 6.941 > 1 2 Li 0.50000000000000 0.25000000000000 0.34969208053481 6.941 > 2 3 Li 0.00000000000000 0.25000000000000 0.15030791946519 6.941 > 1 4 Li 0.00000000000000 0.75000000000000 0.84969208053481 6.941 > 2 *5 B 0.65855713998187 0.06239608577147 0.16442539915845 10.811 > 3 *6 B 0.50000000000000 0.85000413274264 0.38083839482589 10.811 > 4 *7 B 0.75111543531895 0.92028366307635 0.45624846566578 10.811 > 5 8 B 0.75111543531895 0.07971633692365 0.54375153433422 10.811 > 6 9 B 0.24888456468105 0.57971633692365 0.45624846566578 10.811 > 7 10 B 0.24888456468105 0.42028366307635 0.54375153433422 10.811 > 8 11 B 0.24888456468105 0.07971633692365 0.54375153433422 10.811 > 9 12 B 0.24888456468105 0.92028366307635 0.45624846566578 10.811 > 10 13 B 0.75111543531895 0.42028366307635 0.54375153433422 10.811 > 11 14 B 0.75111543531895 0.57971633692365 0.45624846566578 10.811 > 12 15 B 0.84144286001813 0.93760391422853 0.66442539915845 10.811 > 13 16 B 0.84144286001813 0.06239608577147 0.33557460084155 10.811 > 14 17 B 0.15855713998187 0.06239608577147 0.33557460084155 10.811 > 15 18 B 0.65855713998187 0.93760391422853 0.83557460084155 10.811 > 16 19 B 0.15855713998187 0.93760391422853 0.66442539915845 10.811 > 17 20 B 0.50000000000000 0.64999586725736 0.38083839482589 10.811 > 18 21 B 0.34144286001813 0.93760391422853 0.83557460084155 10.811 > 19 22 B 0.34144286001813 0.06239608577147 0.16442539915845 10.811 > 20 *23 B 0.00000000000000 0.91461528091847 0.32928004866009 10.811 > 21 24 B 0.00000000000000 0.08538471908153 0.67071995133991 10.811 > 22 25 B 0.50000000000000 0.08538471908153 0.82928004866009 10.811 > 23 26 B 0.50000000000000 0.91461528091847 0.17071995133991 10.811 > 24 *27 B 0.00000000000000 0.83364312823442 0.53105937124296 10.811 > 25 28 B 0.00000000000000 0.16635687176558 0.46894062875704 10.811 > 26 29 B 0.00000000000000 0.66635687176558 0.53105937124296 10.811 > 27 30 B 0.00000000000000 0.33364312823442 0.46894062875704 10.811 > 28 31 B 0.50000000000000 0.35000413274265 0.61916160517411 10.811 > 29 32 B 0.50000000000000 0.14999586725736 0.61916160517411 10.811 > 30 33 B 0.15855713998187 0.56239608577147 0.66442539915845 10.811 > 3 34 B 0.00000000000000 0.35000413274265 0.88083839482589 10.811 > 4 35 B 0.25111543531895 0.42028366307635 0.95624846566578 10.811 > 5 36 B 0.25111543531895 0.57971633692365 0.04375153433422 10.811 > 6 37 B 0.74888456468105 0.07971633692365 0.95624846566578 10.811 > 7 38 B 0.74888456468105 0.92028366307635 0.04375153433422 10.811 > 8 39 B 0.74888456468105 0.57971633692365 0.04375153433422 10.811 > 9 40 B 0.74888456468105 0.42028366307635 0.95624846566578 10.811 > 10 41 B 0.25111543531895 0.92028366307635 0.04375153433422 10.811 > 11 42 B 0.25111543531895 0.07971633692365 0.95624846566578 10.811 > 12 43 B 0.34144286001813 0.43760391422853 0.16442539915845 10.811 > 13 44 B 0.34144286001813 0.56239608577147 0.83557460084155 10.811 > 14 45 B 0.65855713998187 0.56239608577147 0.83557460084155 10.811 > 15 46 B 0.15855713998187 0.43760391422853 0.33557460084155 10.811 > 16 47 B 0.65855713998187 0.43760391422853 0.16442539915845 10.811 > 17 48 B 0.00000000000000 0.14999586725736 0.88083839482589 10.811 > 18 49 B 0.84144286001813 0.43760391422853 0.33557460084155 10.811 > 19 50 B 0.84144286001813 0.56239608577147 0.66442539915845 10.811 > 20 51 B 0.50000000000000 0.41461528091847 0.82928004866009 10.811 > 21 52 B 0.50000000000000 0.58538471908153 0.17071995133991 10.811 > 22 53 B 0.00000000000000 0.58538471908153 0.32928004866009 10.811 > 23 54 B 0.00000000000000 0.41461528091847 0.67071995133991 10.811 > 24 55 B 0.50000000000000 0.33364312823442 0.03105937124296 10.811 > 25 56 B 0.50000000000000 0.66635687176558 0.96894062875704 10.811 > 26 57 B 0.50000000000000 0.16635687176558 0.03105937124296 10.811 > 27 58 B 0.50000000000000 0.83364312823442 0.96894062875704 10.811 > 28 59 B 0.00000000000000 0.85000413274264 0.11916160517411 10.811 > 29 60 B 0.00000000000000 0.64999586725736 0.11916160517411 10.811 > 30 *61 Al 0.25000000000000 0.25000000000000 0.75000000000000 26.982 > 31 62 Al 0.75000000000000 0.25000000000000 0.75000000000000 26.982 > 32 63 Al 0.75000000000000 0.75000000000000 0.25000000000000 26.982 > 31 64 Al 0.25000000000000 0.75000000000000 0.25000000000000 26.982 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.676040340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.298762140000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.096344560000002 Atomic positions (fractional): *1 Li 0.25000000000000 0.75000000000000 0.65030791946519 6.941 > 1 2 Li 0.75000000000000 0.75000000000000 0.65030791946519 6.941 > 1 3 Li 0.25000000000000 0.25000000000000 0.34969208053481 6.941 > 2 4 Li 0.75000000000000 0.25000000000000 0.34969208053481 6.941 > 2 5 Li 0.00000000000000 0.25000000000000 0.15030791946519 6.941 > 1 6 Li 0.50000000000000 0.25000000000000 0.15030791946519 6.941 > 1 7 Li 0.00000000000000 0.75000000000000 0.84969208053481 6.941 > 2 8 Li 0.50000000000000 0.75000000000000 0.84969208053481 6.941 > 2 *9 B 0.32927856999093 0.06239608577147 0.16442539915845 10.811 > 3 10 B 0.82927856999093 0.06239608577147 0.16442539915845 10.811 > 3 *11 B 0.25000000000000 0.85000413274264 0.38083839482589 10.811 > 4 12 B 0.75000000000000 0.85000413274264 0.38083839482589 10.811 > 4 *13 B 0.37555771765947 0.92028366307635 0.45624846566578 10.811 > 5 14 B 0.87555771765947 0.92028366307635 0.45624846566578 10.811 > 5 15 B 0.37555771765947 0.07971633692365 0.54375153433422 10.811 > 6 16 B 0.87555771765947 0.07971633692365 0.54375153433422 10.811 > 6 17 B 0.12444228234053 0.57971633692365 0.45624846566578 10.811 > 7 18 B 0.62444228234053 0.57971633692365 0.45624846566578 10.811 > 7 19 B 0.12444228234053 0.42028366307635 0.54375153433422 10.811 > 8 20 B 0.62444228234053 0.42028366307635 0.54375153433422 10.811 > 8 21 B 0.12444228234053 0.07971633692365 0.54375153433422 10.811 > 9 22 B 0.62444228234053 0.07971633692365 0.54375153433422 10.811 > 9 23 B 0.12444228234053 0.92028366307635 0.45624846566578 10.811 > 10 24 B 0.62444228234053 0.92028366307635 0.45624846566578 10.811 > 10 25 B 0.37555771765947 0.42028366307635 0.54375153433422 10.811 > 11 26 B 0.87555771765947 0.42028366307635 0.54375153433422 10.811 > 11 27 B 0.37555771765947 0.57971633692365 0.45624846566578 10.811 > 12 28 B 0.87555771765947 0.57971633692365 0.45624846566578 10.811 > 12 29 B 0.42072143000907 0.93760391422853 0.66442539915845 10.811 > 13 30 B 0.92072143000907 0.93760391422853 0.66442539915845 10.811 > 13 31 B 0.42072143000907 0.06239608577147 0.33557460084155 10.811 > 14 32 B 0.92072143000907 0.06239608577147 0.33557460084155 10.811 > 14 33 B 0.07927856999093 0.06239608577147 0.33557460084155 10.811 > 15 34 B 0.57927856999093 0.06239608577147 0.33557460084155 10.811 > 15 35 B 0.32927856999093 0.93760391422853 0.83557460084155 10.811 > 16 36 B 0.82927856999093 0.93760391422853 0.83557460084155 10.811 > 16 37 B 0.07927856999093 0.93760391422853 0.66442539915845 10.811 > 17 38 B 0.57927856999093 0.93760391422853 0.66442539915845 10.811 > 17 39 B 0.25000000000000 0.64999586725736 0.38083839482589 10.811 > 18 40 B 0.75000000000000 0.64999586725736 0.38083839482589 10.811 > 18 41 B 0.17072143000907 0.93760391422853 0.83557460084155 10.811 > 19 42 B 0.67072143000907 0.93760391422853 0.83557460084155 10.811 > 19 43 B 0.17072143000907 0.06239608577147 0.16442539915845 10.811 > 20 44 B 0.67072143000907 0.06239608577147 0.16442539915845 10.811 > 20 *45 B 0.00000000000000 0.91461528091847 0.32928004866009 10.811 > 21 46 B 0.50000000000000 0.91461528091847 0.32928004866009 10.811 > 21 47 B 0.00000000000000 0.08538471908153 0.67071995133991 10.811 > 22 48 B 0.50000000000000 0.08538471908153 0.67071995133991 10.811 > 22 49 B 0.25000000000000 0.08538471908153 0.82928004866009 10.811 > 23 50 B 0.75000000000000 0.08538471908153 0.82928004866009 10.811 > 23 51 B 0.25000000000000 0.91461528091847 0.17071995133991 10.811 > 24 52 B 0.75000000000000 0.91461528091847 0.17071995133991 10.811 > 24 *53 B 0.00000000000000 0.83364312823442 0.53105937124296 10.811 > 25 54 B 0.50000000000000 0.83364312823442 0.53105937124296 10.811 > 25 55 B 0.00000000000000 0.16635687176558 0.46894062875704 10.811 > 26 56 B 0.50000000000000 0.16635687176558 0.46894062875704 10.811 > 26 57 B 0.00000000000000 0.66635687176558 0.53105937124296 10.811 > 27 58 B 0.50000000000000 0.66635687176558 0.53105937124296 10.811 > 27 59 B 0.00000000000000 0.33364312823442 0.46894062875704 10.811 > 28 60 B 0.50000000000000 0.33364312823442 0.46894062875704 10.811 > 28 61 B 0.25000000000000 0.35000413274265 0.61916160517411 10.811 > 29 62 B 0.75000000000000 0.35000413274265 0.61916160517411 10.811 > 29 63 B 0.25000000000000 0.14999586725736 0.61916160517411 10.811 > 30 64 B 0.75000000000000 0.14999586725736 0.61916160517411 10.811 > 30 65 B 0.07927856999093 0.56239608577147 0.66442539915845 10.811 > 3 66 B 0.57927856999093 0.56239608577147 0.66442539915845 10.811 > 3 67 B 0.00000000000000 0.35000413274265 0.88083839482589 10.811 > 4 68 B 0.50000000000000 0.35000413274265 0.88083839482589 10.811 > 4 69 B 0.12555771765947 0.42028366307635 0.95624846566578 10.811 > 5 70 B 0.62555771765947 0.42028366307635 0.95624846566578 10.811 > 5 71 B 0.12555771765947 0.57971633692365 0.04375153433422 10.811 > 6 72 B 0.62555771765947 0.57971633692365 0.04375153433422 10.811 > 6 73 B 0.37444228234053 0.07971633692365 0.95624846566578 10.811 > 7 74 B 0.87444228234053 0.07971633692365 0.95624846566578 10.811 > 7 75 B 0.37444228234053 0.92028366307635 0.04375153433422 10.811 > 8 76 B 0.87444228234053 0.92028366307635 0.04375153433422 10.811 > 8 77 B 0.37444228234053 0.57971633692365 0.04375153433422 10.811 > 9 78 B 0.87444228234053 0.57971633692365 0.04375153433422 10.811 > 9 79 B 0.37444228234053 0.42028366307635 0.95624846566578 10.811 > 10 80 B 0.87444228234053 0.42028366307635 0.95624846566578 10.811 > 10 81 B 0.12555771765947 0.92028366307635 0.04375153433422 10.811 > 11 82 B 0.62555771765947 0.92028366307635 0.04375153433422 10.811 > 11 83 B 0.12555771765947 0.07971633692365 0.95624846566578 10.811 > 12 84 B 0.62555771765947 0.07971633692365 0.95624846566578 10.811 > 12 85 B 0.17072143000907 0.43760391422853 0.16442539915845 10.811 > 13 86 B 0.67072143000907 0.43760391422853 0.16442539915845 10.811 > 13 87 B 0.17072143000907 0.56239608577147 0.83557460084155 10.811 > 14 88 B 0.67072143000907 0.56239608577147 0.83557460084155 10.811 > 14 89 B 0.32927856999093 0.56239608577147 0.83557460084155 10.811 > 15 90 B 0.82927856999093 0.56239608577147 0.83557460084155 10.811 > 15 91 B 0.07927856999093 0.43760391422853 0.33557460084155 10.811 > 16 92 B 0.57927856999093 0.43760391422853 0.33557460084155 10.811 > 16 93 B 0.32927856999093 0.43760391422853 0.16442539915845 10.811 > 17 94 B 0.82927856999093 0.43760391422853 0.16442539915845 10.811 > 17 95 B 0.00000000000000 0.14999586725736 0.88083839482589 10.811 > 18 96 B 0.50000000000000 0.14999586725736 0.88083839482589 10.811 > 18 97 B 0.42072143000907 0.43760391422853 0.33557460084155 10.811 > 19 98 B 0.92072143000907 0.43760391422853 0.33557460084155 10.811 > 19 99 B 0.42072143000907 0.56239608577147 0.66442539915845 10.811 > 20 100 B 0.92072143000907 0.56239608577147 0.66442539915845 10.811 > 20 101 B 0.25000000000000 0.41461528091847 0.82928004866009 10.811 > 21 102 B 0.75000000000000 0.41461528091847 0.82928004866009 10.811 > 21 103 B 0.25000000000000 0.58538471908153 0.17071995133991 10.811 > 22 104 B 0.75000000000000 0.58538471908153 0.17071995133991 10.811 > 22 105 B 0.00000000000000 0.58538471908153 0.32928004866009 10.811 > 23 106 B 0.50000000000000 0.58538471908153 0.32928004866009 10.811 > 23 107 B 0.00000000000000 0.41461528091847 0.67071995133991 10.811 > 24 108 B 0.50000000000000 0.41461528091847 0.67071995133991 10.811 > 24 109 B 0.25000000000000 0.33364312823442 0.03105937124296 10.811 > 25 110 B 0.75000000000000 0.33364312823442 0.03105937124296 10.811 > 25 111 B 0.25000000000000 0.66635687176558 0.96894062875704 10.811 > 26 112 B 0.75000000000000 0.66635687176558 0.96894062875704 10.811 > 26 113 B 0.25000000000000 0.16635687176558 0.03105937124296 10.811 > 27 114 B 0.75000000000000 0.16635687176558 0.03105937124296 10.811 > 27 115 B 0.25000000000000 0.83364312823442 0.96894062875704 10.811 > 28 116 B 0.75000000000000 0.83364312823442 0.96894062875704 10.811 > 28 117 B 0.00000000000000 0.85000413274264 0.11916160517411 10.811 > 29 118 B 0.50000000000000 0.85000413274264 0.11916160517411 10.811 > 29 119 B 0.00000000000000 0.64999586725736 0.11916160517411 10.811 > 30 120 B 0.50000000000000 0.64999586725736 0.11916160517411 10.811 > 30 *121 Al 0.12500000000000 0.25000000000000 0.75000000000000 26.982 > 31 122 Al 0.62500000000000 0.25000000000000 0.75000000000000 26.982 > 31 123 Al 0.37500000000000 0.25000000000000 0.75000000000000 26.982 > 32 124 Al 0.87500000000000 0.25000000000000 0.75000000000000 26.982 > 32 125 Al 0.37500000000000 0.75000000000000 0.25000000000000 26.982 > 31 126 Al 0.87500000000000 0.75000000000000 0.25000000000000 26.982 > 31 127 Al 0.12500000000000 0.75000000000000 0.25000000000000 26.982 > 32 128 Al 0.62500000000000 0.75000000000000 0.25000000000000 26.982 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.7874708 0.0000000 0.0000000 0.0000000 8.3783282 0.0000000 0.0000000 0.0000000 8.4358180 -------------------------- Born effective charges -------------------------- 1 Li 1.2838597 -0.0000000 0.0000000 -0.0000000 1.6657872 0.0000000 0.0000000 0.0000000 1.6787154 2 Li 1.2838597 -0.0000000 0.0000000 -0.0000000 1.6657872 0.0000000 0.0000000 0.0000000 1.6787154 3 B -0.1380161 0.0281663 0.2727424 0.0300254 -0.4770097 -0.0175739 0.2659793 -0.0115568 0.0482441 4 B -1.6079273 -0.0000000 0.0000000 -0.0000000 -0.6996918 0.0514751 0.0000000 -0.1777286 -1.1658455 5 B 0.3829888 0.4484242 0.3754816 0.4339321 -0.2893285 0.0845065 0.4179539 0.1418793 -0.3097781 6 B 0.3829888 -0.4484242 -0.3754816 -0.4339321 -0.2893285 0.0845065 -0.4179539 0.1418793 -0.3097781 7 B 0.3829888 0.4484242 -0.3754816 0.4339321 -0.2893285 -0.0845065 -0.4179539 -0.1418793 -0.3097781 8 B 0.3829888 -0.4484242 0.3754816 -0.4339321 -0.2893285 -0.0845065 0.4179539 -0.1418793 -0.3097781 9 B 0.3829888 0.4484242 0.3754816 0.4339321 -0.2893285 0.0845065 0.4179539 0.1418793 -0.3097781 10 B 0.3829888 -0.4484242 -0.3754816 -0.4339321 -0.2893285 0.0845065 -0.4179539 0.1418793 -0.3097781 11 B 0.3829888 0.4484242 -0.3754816 0.4339321 -0.2893285 -0.0845065 -0.4179539 -0.1418793 -0.3097781 12 B 0.3829888 -0.4484242 0.3754816 -0.4339321 -0.2893285 -0.0845065 0.4179539 -0.1418793 -0.3097781 13 B -0.1380161 0.0281663 -0.2727424 0.0300254 -0.4770097 0.0175739 -0.2659793 0.0115568 0.0482441 14 B -0.1380161 -0.0281663 0.2727424 -0.0300254 -0.4770097 0.0175739 0.2659793 0.0115568 0.0482441 15 B -0.1380161 0.0281663 -0.2727424 0.0300254 -0.4770097 0.0175739 -0.2659793 0.0115568 0.0482441 16 B -0.1380161 -0.0281663 -0.2727424 -0.0300254 -0.4770097 -0.0175739 -0.2659793 -0.0115568 0.0482441 17 B -0.1380161 -0.0281663 0.2727424 -0.0300254 -0.4770097 0.0175739 0.2659793 0.0115568 0.0482441 18 B -1.6079273 -0.0000000 0.0000000 -0.0000000 -0.6996918 -0.0514751 0.0000000 0.1777286 -1.1658455 19 B -0.1380161 0.0281663 0.2727424 0.0300254 -0.4770097 -0.0175739 0.2659793 -0.0115568 0.0482441 20 B -0.1380161 -0.0281663 -0.2727424 -0.0300254 -0.4770097 -0.0175739 -0.2659793 -0.0115568 0.0482441 21 B -0.8131290 -0.0000000 0.0000000 -0.0000000 -0.7990074 0.2249719 0.0000000 0.1544113 -0.0281836 22 B -0.8131290 -0.0000000 0.0000000 -0.0000000 -0.7990074 0.2249719 0.0000000 0.1544113 -0.0281836 23 B -0.8131290 -0.0000000 0.0000000 -0.0000000 -0.7990074 -0.2249719 0.0000000 -0.1544113 -0.0281836 24 B -0.8131290 -0.0000000 0.0000000 -0.0000000 -0.7990074 -0.2249719 0.0000000 -0.1544113 -0.0281836 25 B -0.4906162 -0.0000000 0.0000000 -0.0000000 0.1059723 -0.0143279 0.0000000 -0.0791938 -0.6283507 26 B -0.4906162 -0.0000000 0.0000000 -0.0000000 0.1059723 -0.0143279 0.0000000 -0.0791938 -0.6283507 27 B -0.4906162 -0.0000000 0.0000000 -0.0000000 0.1059723 0.0143279 0.0000000 0.0791938 -0.6283507 28 B -0.4906162 -0.0000000 0.0000000 -0.0000000 0.1059723 0.0143279 0.0000000 0.0791938 -0.6283507 29 B -1.6079273 -0.0000000 0.0000000 -0.0000000 -0.6996918 -0.0514751 0.0000000 0.1777286 -1.1658455 30 B -1.6079273 -0.0000000 0.0000000 -0.0000000 -0.6996918 0.0514751 0.0000000 -0.1777286 -1.1658455 31 Al 3.5595951 -0.0000000 0.1284289 -0.0000000 4.1850195 0.0000000 0.3499660 0.0000000 3.0121800 32 Al 3.5595951 -0.0000000 -0.1284289 -0.0000000 4.1850195 0.0000000 -0.3499660 0.0000000 3.0121800 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 25656/25656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2482 Number of blocks in projector: 2482 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 552 Use submatrix version of eigh solver. (1) Block: 552 / 552 (2) Block: 250 / 552 (2) 240 eigenvectors found. (2) Block: 500 / 552 (2) 240 eigenvectors found. (2) Block: 552 / 552 (2) 43 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 542 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 472 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 456 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 334 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 334 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 334 Use standard eigh solver. Tree of FC basis block matrices: - (2482, 2441), data: False |-- (334, 327), data: True |-- (334, 327), data: True |-- (334, 327), data: True |-- (456, 452), data: True |-- (472, 466), data: True |-- (552, 542), data: False |-- (552, 542), data: False |-- (552, 19), data: (552, 29) @ (29, 19) |-- (52, 43), data: True |-- (250, 240), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 480 - Time: 0.728 Solver_block: 200 / 480 - Time: 0.671 Solver_block: 300 / 480 - Time: 0.669 Solver_block: 400 / 480 - Time: 0.669 Solver_block: 480 / 480 - Time: 0.621 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.441 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 25656/25656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2482 Number of blocks in projector: 2482 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 552 Use submatrix version of eigh solver. (1) Block: 552 / 552 (2) Block: 250 / 552 (2) 240 eigenvectors found. (2) Block: 500 / 552 (2) 240 eigenvectors found. (2) Block: 552 / 552 (2) 43 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 542 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 472 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 456 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 334 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 334 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 334 Use standard eigh solver. Tree of FC basis block matrices: - (2482, 2441), data: False |-- (334, 327), data: True |-- (334, 327), data: True |-- (334, 327), data: True |-- (456, 452), data: True |-- (472, 466), data: True |-- (552, 542), data: False |-- (552, 542), data: False |-- (552, 19), data: (552, 29) @ (29, 19) |-- (52, 43), data: True |-- (250, 240), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:47:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:47:20]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.919010085000000 5.149381070000000 4.048172280000001 b 2.919010085000000 -5.149381070000000 4.048172280000001 c 2.919010085000000 5.149381070000000 -4.048172280000001 Atomic positions (fractional): 1 Li 0.40030791946519 0.15030791946519 0.25000000000000 6.941 2 Li 0.59969208053481 0.84969208053481 0.75000000000000 6.941 3 B 0.22682148492992 0.82298253914032 0.72095322575334 10.811 4 B 0.23084252756854 0.88083839482589 0.35000413274265 10.811 5 B 0.37653212874213 0.20736390098473 0.67139909839529 10.811 6 B 0.62346787125787 0.29486696965317 0.83083177224260 10.811 7 B 0.03596480258944 0.70513303034683 0.82860090160471 10.811 8 B 0.96403519741056 0.79263609901527 0.66916822775740 10.811 9 B 0.62346787125787 0.79263609901527 0.32860090160471 10.811 10 B 0.37653212874213 0.70513303034683 0.16916822775740 10.811 11 B 0.96403519741056 0.29486696965317 0.17139909839529 10.811 12 B 0.03596480258944 0.20736390098473 0.33083177224260 10.811 13 B 0.60202931338699 0.50586825917659 0.77904677424666 10.811 14 B 0.39797068661301 0.17701746085968 0.90383894578960 10.811 15 B 0.39797068661301 0.49413174082341 0.22095322575333 10.811 16 B 0.77317851507008 0.49413174082341 0.59616105421040 10.811 17 B 0.60202931338699 0.82298253914032 0.09616105421040 10.811 18 B 0.03083426208325 0.88083839482589 0.14999586725735 10.811 19 B 0.77317851507008 0.17701746085968 0.27904677424666 10.811 20 B 0.22682148492992 0.50586825917659 0.40383894578960 10.811 21 B 0.24389532957856 0.32928004866009 0.91461528091847 10.811 22 B 0.75610467042144 0.67071995133991 0.08538471908153 10.811 23 B 0.91466476774162 0.32928004866009 0.58538471908153 10.811 24 B 0.08533523225838 0.67071995133991 0.41461528091847 10.811 25 B 0.36470249947738 0.53105937124296 0.83364312823442 10.811 26 B 0.63529750052262 0.46894062875704 0.16635687176558 10.811 27 B 0.19741624300855 0.53105937124296 0.66635687176558 10.811 28 B 0.80258375699145 0.46894062875704 0.33364312823442 10.811 29 B 0.96916573791675 0.11916160517411 0.85000413274265 10.811 30 B 0.76915747243146 0.11916160517411 0.64999586725736 10.811 31 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 32 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.676040340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.298762140000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.096344560000002 Atomic positions (fractional): 1 Li 0.25000000000000 0.75000000000000 0.65030791946519 6.941 > 1 2 Li 0.75000000000000 0.75000000000000 0.65030791946519 6.941 > 1 3 Li 0.25000000000000 0.25000000000000 0.34969208053481 6.941 > 3 4 Li 0.75000000000000 0.25000000000000 0.34969208053481 6.941 > 3 5 Li 0.00000000000000 0.25000000000000 0.15030791946519 6.941 > 1 6 Li 0.50000000000000 0.25000000000000 0.15030791946519 6.941 > 1 7 Li 0.00000000000000 0.75000000000000 0.84969208053481 6.941 > 3 8 Li 0.50000000000000 0.75000000000000 0.84969208053481 6.941 > 3 9 B 0.32927856999093 0.06239608577147 0.16442539915845 10.811 > 9 10 B 0.82927856999093 0.06239608577147 0.16442539915845 10.811 > 9 11 B 0.25000000000000 0.85000413274264 0.38083839482589 10.811 > 11 12 B 0.75000000000000 0.85000413274264 0.38083839482589 10.811 > 11 13 B 0.37555771765947 0.92028366307635 0.45624846566578 10.811 > 13 14 B 0.87555771765947 0.92028366307635 0.45624846566578 10.811 > 13 15 B 0.37555771765947 0.07971633692365 0.54375153433422 10.811 > 15 16 B 0.87555771765947 0.07971633692365 0.54375153433422 10.811 > 15 17 B 0.12444228234053 0.57971633692365 0.45624846566578 10.811 > 17 18 B 0.62444228234053 0.57971633692365 0.45624846566578 10.811 > 17 19 B 0.12444228234053 0.42028366307635 0.54375153433422 10.811 > 19 20 B 0.62444228234053 0.42028366307635 0.54375153433422 10.811 > 19 21 B 0.12444228234053 0.07971633692365 0.54375153433422 10.811 > 21 22 B 0.62444228234053 0.07971633692365 0.54375153433422 10.811 > 21 23 B 0.12444228234053 0.92028366307635 0.45624846566578 10.811 > 23 24 B 0.62444228234053 0.92028366307635 0.45624846566578 10.811 > 23 25 B 0.37555771765947 0.42028366307635 0.54375153433422 10.811 > 25 26 B 0.87555771765947 0.42028366307635 0.54375153433422 10.811 > 25 27 B 0.37555771765947 0.57971633692365 0.45624846566578 10.811 > 27 28 B 0.87555771765947 0.57971633692365 0.45624846566578 10.811 > 27 29 B 0.42072143000907 0.93760391422853 0.66442539915845 10.811 > 29 30 B 0.92072143000907 0.93760391422853 0.66442539915845 10.811 > 29 31 B 0.42072143000907 0.06239608577147 0.33557460084155 10.811 > 31 32 B 0.92072143000907 0.06239608577147 0.33557460084155 10.811 > 31 33 B 0.07927856999093 0.06239608577147 0.33557460084155 10.811 > 33 34 B 0.57927856999093 0.06239608577147 0.33557460084155 10.811 > 33 35 B 0.32927856999093 0.93760391422853 0.83557460084155 10.811 > 35 36 B 0.82927856999093 0.93760391422853 0.83557460084155 10.811 > 35 37 B 0.07927856999093 0.93760391422853 0.66442539915845 10.811 > 37 38 B 0.57927856999093 0.93760391422853 0.66442539915845 10.811 > 37 39 B 0.25000000000000 0.64999586725736 0.38083839482589 10.811 > 39 40 B 0.75000000000000 0.64999586725736 0.38083839482589 10.811 > 39 41 B 0.17072143000907 0.93760391422853 0.83557460084155 10.811 > 41 42 B 0.67072143000907 0.93760391422853 0.83557460084155 10.811 > 41 43 B 0.17072143000907 0.06239608577147 0.16442539915845 10.811 > 43 44 B 0.67072143000907 0.06239608577147 0.16442539915845 10.811 > 43 45 B 0.00000000000000 0.91461528091847 0.32928004866009 10.811 > 45 46 B 0.50000000000000 0.91461528091847 0.32928004866009 10.811 > 45 47 B 0.00000000000000 0.08538471908153 0.67071995133991 10.811 > 47 48 B 0.50000000000000 0.08538471908153 0.67071995133991 10.811 > 47 49 B 0.25000000000000 0.08538471908153 0.82928004866009 10.811 > 49 50 B 0.75000000000000 0.08538471908153 0.82928004866009 10.811 > 49 51 B 0.25000000000000 0.91461528091847 0.17071995133991 10.811 > 51 52 B 0.75000000000000 0.91461528091847 0.17071995133991 10.811 > 51 53 B 0.00000000000000 0.83364312823442 0.53105937124296 10.811 > 53 54 B 0.50000000000000 0.83364312823442 0.53105937124296 10.811 > 53 55 B 0.00000000000000 0.16635687176558 0.46894062875704 10.811 > 55 56 B 0.50000000000000 0.16635687176558 0.46894062875704 10.811 > 55 57 B 0.00000000000000 0.66635687176558 0.53105937124296 10.811 > 57 58 B 0.50000000000000 0.66635687176558 0.53105937124296 10.811 > 57 59 B 0.00000000000000 0.33364312823442 0.46894062875704 10.811 > 59 60 B 0.50000000000000 0.33364312823442 0.46894062875704 10.811 > 59 61 B 0.25000000000000 0.35000413274265 0.61916160517411 10.811 > 61 62 B 0.75000000000000 0.35000413274265 0.61916160517411 10.811 > 61 63 B 0.25000000000000 0.14999586725736 0.61916160517411 10.811 > 63 64 B 0.75000000000000 0.14999586725736 0.61916160517411 10.811 > 63 65 B 0.07927856999093 0.56239608577147 0.66442539915845 10.811 > 9 66 B 0.57927856999093 0.56239608577147 0.66442539915845 10.811 > 9 67 B 0.00000000000000 0.35000413274265 0.88083839482589 10.811 > 11 68 B 0.50000000000000 0.35000413274265 0.88083839482589 10.811 > 11 69 B 0.12555771765947 0.42028366307635 0.95624846566578 10.811 > 13 70 B 0.62555771765947 0.42028366307635 0.95624846566578 10.811 > 13 71 B 0.12555771765947 0.57971633692365 0.04375153433422 10.811 > 15 72 B 0.62555771765947 0.57971633692365 0.04375153433422 10.811 > 15 73 B 0.37444228234053 0.07971633692365 0.95624846566578 10.811 > 17 74 B 0.87444228234053 0.07971633692365 0.95624846566578 10.811 > 17 75 B 0.37444228234053 0.92028366307635 0.04375153433422 10.811 > 19 76 B 0.87444228234053 0.92028366307635 0.04375153433422 10.811 > 19 77 B 0.37444228234053 0.57971633692365 0.04375153433422 10.811 > 21 78 B 0.87444228234053 0.57971633692365 0.04375153433422 10.811 > 21 79 B 0.37444228234053 0.42028366307635 0.95624846566578 10.811 > 23 80 B 0.87444228234053 0.42028366307635 0.95624846566578 10.811 > 23 81 B 0.12555771765947 0.92028366307635 0.04375153433422 10.811 > 25 82 B 0.62555771765947 0.92028366307635 0.04375153433422 10.811 > 25 83 B 0.12555771765947 0.07971633692365 0.95624846566578 10.811 > 27 84 B 0.62555771765947 0.07971633692365 0.95624846566578 10.811 > 27 85 B 0.17072143000907 0.43760391422853 0.16442539915845 10.811 > 29 86 B 0.67072143000907 0.43760391422853 0.16442539915845 10.811 > 29 87 B 0.17072143000907 0.56239608577147 0.83557460084155 10.811 > 31 88 B 0.67072143000907 0.56239608577147 0.83557460084155 10.811 > 31 89 B 0.32927856999093 0.56239608577147 0.83557460084155 10.811 > 33 90 B 0.82927856999093 0.56239608577147 0.83557460084155 10.811 > 33 91 B 0.07927856999093 0.43760391422853 0.33557460084155 10.811 > 35 92 B 0.57927856999093 0.43760391422853 0.33557460084155 10.811 > 35 93 B 0.32927856999093 0.43760391422853 0.16442539915845 10.811 > 37 94 B 0.82927856999093 0.43760391422853 0.16442539915845 10.811 > 37 95 B 0.00000000000000 0.14999586725736 0.88083839482589 10.811 > 39 96 B 0.50000000000000 0.14999586725736 0.88083839482589 10.811 > 39 97 B 0.42072143000907 0.43760391422853 0.33557460084155 10.811 > 41 98 B 0.92072143000907 0.43760391422853 0.33557460084155 10.811 > 41 99 B 0.42072143000907 0.56239608577147 0.66442539915845 10.811 > 43 100 B 0.92072143000907 0.56239608577147 0.66442539915845 10.811 > 43 101 B 0.25000000000000 0.41461528091847 0.82928004866009 10.811 > 45 102 B 0.75000000000000 0.41461528091847 0.82928004866009 10.811 > 45 103 B 0.25000000000000 0.58538471908153 0.17071995133991 10.811 > 47 104 B 0.75000000000000 0.58538471908153 0.17071995133991 10.811 > 47 105 B 0.00000000000000 0.58538471908153 0.32928004866009 10.811 > 49 106 B 0.50000000000000 0.58538471908153 0.32928004866009 10.811 > 49 107 B 0.00000000000000 0.41461528091847 0.67071995133991 10.811 > 51 108 B 0.50000000000000 0.41461528091847 0.67071995133991 10.811 > 51 109 B 0.25000000000000 0.33364312823442 0.03105937124296 10.811 > 53 110 B 0.75000000000000 0.33364312823442 0.03105937124296 10.811 > 53 111 B 0.25000000000000 0.66635687176558 0.96894062875704 10.811 > 55 112 B 0.75000000000000 0.66635687176558 0.96894062875704 10.811 > 55 113 B 0.25000000000000 0.16635687176558 0.03105937124296 10.811 > 57 114 B 0.75000000000000 0.16635687176558 0.03105937124296 10.811 > 57 115 B 0.25000000000000 0.83364312823442 0.96894062875704 10.811 > 59 116 B 0.75000000000000 0.83364312823442 0.96894062875704 10.811 > 59 117 B 0.00000000000000 0.85000413274264 0.11916160517411 10.811 > 61 118 B 0.50000000000000 0.85000413274264 0.11916160517411 10.811 > 61 119 B 0.00000000000000 0.64999586725736 0.11916160517411 10.811 > 63 120 B 0.50000000000000 0.64999586725736 0.11916160517411 10.811 > 63 121 Al 0.12500000000000 0.25000000000000 0.75000000000000 26.982 > 121 122 Al 0.62500000000000 0.25000000000000 0.75000000000000 26.982 > 121 123 Al 0.37500000000000 0.25000000000000 0.75000000000000 26.982 > 123 124 Al 0.87500000000000 0.25000000000000 0.75000000000000 26.982 > 123 125 Al 0.37500000000000 0.75000000000000 0.25000000000000 26.982 > 121 126 Al 0.87500000000000 0.75000000000000 0.25000000000000 26.982 > 121 127 Al 0.12500000000000 0.75000000000000 0.25000000000000 26.982 > 123 128 Al 0.62500000000000 0.75000000000000 0.25000000000000 26.982 > 123 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.7874708 0.0000000 0.0000000 0.0000000 8.3783282 0.0000000 0.0000000 0.0000000 8.4358180 -------------------------- Born effective charges -------------------------- 1 Li 1.2838597 -0.0000000 0.0000000 -0.0000000 1.6657872 0.0000000 0.0000000 0.0000000 1.6787154 2 Li 1.2838597 -0.0000000 0.0000000 -0.0000000 1.6657872 0.0000000 0.0000000 0.0000000 1.6787154 3 B -0.1380161 0.0281663 0.2727424 0.0300254 -0.4770097 -0.0175739 0.2659793 -0.0115568 0.0482441 4 B -1.6079273 -0.0000000 0.0000000 -0.0000000 -0.6996918 0.0514751 0.0000000 -0.1777286 -1.1658455 5 B 0.3829888 0.4484242 0.3754816 0.4339321 -0.2893285 0.0845065 0.4179539 0.1418793 -0.3097781 6 B 0.3829888 -0.4484242 -0.3754816 -0.4339321 -0.2893285 0.0845065 -0.4179539 0.1418793 -0.3097781 7 B 0.3829888 0.4484242 -0.3754816 0.4339321 -0.2893285 -0.0845065 -0.4179539 -0.1418793 -0.3097781 8 B 0.3829888 -0.4484242 0.3754816 -0.4339321 -0.2893285 -0.0845065 0.4179539 -0.1418793 -0.3097781 9 B 0.3829888 0.4484242 0.3754816 0.4339321 -0.2893285 0.0845065 0.4179539 0.1418793 -0.3097781 10 B 0.3829888 -0.4484242 -0.3754816 -0.4339321 -0.2893285 0.0845065 -0.4179539 0.1418793 -0.3097781 11 B 0.3829888 0.4484242 -0.3754816 0.4339321 -0.2893285 -0.0845065 -0.4179539 -0.1418793 -0.3097781 12 B 0.3829888 -0.4484242 0.3754816 -0.4339321 -0.2893285 -0.0845065 0.4179539 -0.1418793 -0.3097781 13 B -0.1380161 0.0281663 -0.2727424 0.0300254 -0.4770097 0.0175739 -0.2659793 0.0115568 0.0482441 14 B -0.1380161 -0.0281663 0.2727424 -0.0300254 -0.4770097 0.0175739 0.2659793 0.0115568 0.0482441 15 B -0.1380161 0.0281663 -0.2727424 0.0300254 -0.4770097 0.0175739 -0.2659793 0.0115568 0.0482441 16 B -0.1380161 -0.0281663 -0.2727424 -0.0300254 -0.4770097 -0.0175739 -0.2659793 -0.0115568 0.0482441 17 B -0.1380161 -0.0281663 0.2727424 -0.0300254 -0.4770097 0.0175739 0.2659793 0.0115568 0.0482441 18 B -1.6079273 -0.0000000 0.0000000 -0.0000000 -0.6996918 -0.0514751 0.0000000 0.1777286 -1.1658455 19 B -0.1380161 0.0281663 0.2727424 0.0300254 -0.4770097 -0.0175739 0.2659793 -0.0115568 0.0482441 20 B -0.1380161 -0.0281663 -0.2727424 -0.0300254 -0.4770097 -0.0175739 -0.2659793 -0.0115568 0.0482441 21 B -0.8131290 -0.0000000 0.0000000 -0.0000000 -0.7990074 0.2249719 0.0000000 0.1544113 -0.0281836 22 B -0.8131290 -0.0000000 0.0000000 -0.0000000 -0.7990074 0.2249719 0.0000000 0.1544113 -0.0281836 23 B -0.8131290 -0.0000000 0.0000000 -0.0000000 -0.7990074 -0.2249719 0.0000000 -0.1544113 -0.0281836 24 B -0.8131290 -0.0000000 0.0000000 -0.0000000 -0.7990074 -0.2249719 0.0000000 -0.1544113 -0.0281836 25 B -0.4906162 -0.0000000 0.0000000 -0.0000000 0.1059723 -0.0143279 0.0000000 -0.0791938 -0.6283507 26 B -0.4906162 -0.0000000 0.0000000 -0.0000000 0.1059723 -0.0143279 0.0000000 -0.0791938 -0.6283507 27 B -0.4906162 -0.0000000 0.0000000 -0.0000000 0.1059723 0.0143279 0.0000000 0.0791938 -0.6283507 28 B -0.4906162 -0.0000000 0.0000000 -0.0000000 0.1059723 0.0143279 0.0000000 0.0791938 -0.6283507 29 B -1.6079273 -0.0000000 0.0000000 -0.0000000 -0.6996918 -0.0514751 0.0000000 0.1777286 -1.1658455 30 B -1.6079273 -0.0000000 0.0000000 -0.0000000 -0.6996918 0.0514751 0.0000000 -0.1777286 -1.1658455 31 Al 3.5595951 -0.0000000 0.1284289 -0.0000000 4.1850195 0.0000000 0.3499660 0.0000000 3.0121800 32 Al 3.5595951 -0.0000000 -0.1284289 -0.0000000 4.1850195 0.0000000 -0.3499660 0.0000000 3.0121800 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 11, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyx) 0.00000001 (yyx) 0.00000001 (yxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:47:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:47:55]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.919010085000000 5.149381070000000 4.048172280000001 b 2.919010085000000 -5.149381070000000 4.048172280000001 c 2.919010085000000 5.149381070000000 -4.048172280000001 Atomic positions (fractional): 1 Li 0.40030791946519 0.15030791946519 0.25000000000000 6.941 2 Li 0.59969208053481 0.84969208053481 0.75000000000000 6.941 3 B 0.22682148492992 0.82298253914032 0.72095322575334 10.811 4 B 0.23084252756854 0.88083839482589 0.35000413274265 10.811 5 B 0.37653212874213 0.20736390098473 0.67139909839529 10.811 6 B 0.62346787125787 0.29486696965317 0.83083177224260 10.811 7 B 0.03596480258944 0.70513303034683 0.82860090160471 10.811 8 B 0.96403519741056 0.79263609901527 0.66916822775740 10.811 9 B 0.62346787125787 0.79263609901527 0.32860090160471 10.811 10 B 0.37653212874213 0.70513303034683 0.16916822775740 10.811 11 B 0.96403519741056 0.29486696965317 0.17139909839529 10.811 12 B 0.03596480258944 0.20736390098473 0.33083177224260 10.811 13 B 0.60202931338699 0.50586825917659 0.77904677424666 10.811 14 B 0.39797068661301 0.17701746085968 0.90383894578960 10.811 15 B 0.39797068661301 0.49413174082341 0.22095322575333 10.811 16 B 0.77317851507008 0.49413174082341 0.59616105421040 10.811 17 B 0.60202931338699 0.82298253914032 0.09616105421040 10.811 18 B 0.03083426208325 0.88083839482589 0.14999586725735 10.811 19 B 0.77317851507008 0.17701746085968 0.27904677424666 10.811 20 B 0.22682148492992 0.50586825917659 0.40383894578960 10.811 21 B 0.24389532957856 0.32928004866009 0.91461528091847 10.811 22 B 0.75610467042144 0.67071995133991 0.08538471908153 10.811 23 B 0.91466476774162 0.32928004866009 0.58538471908153 10.811 24 B 0.08533523225838 0.67071995133991 0.41461528091847 10.811 25 B 0.36470249947738 0.53105937124296 0.83364312823442 10.811 26 B 0.63529750052262 0.46894062875704 0.16635687176558 10.811 27 B 0.19741624300855 0.53105937124296 0.66635687176558 10.811 28 B 0.80258375699145 0.46894062875704 0.33364312823442 10.811 29 B 0.96916573791675 0.11916160517411 0.85000413274265 10.811 30 B 0.76915747243146 0.11916160517411 0.64999586725736 10.811 31 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 32 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.676040340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.298762140000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.096344560000002 Atomic positions (fractional): 1 Li 0.25000000000000 0.75000000000000 0.65030791946519 6.941 > 1 2 Li 0.75000000000000 0.75000000000000 0.65030791946519 6.941 > 1 3 Li 0.25000000000000 0.25000000000000 0.34969208053481 6.941 > 3 4 Li 0.75000000000000 0.25000000000000 0.34969208053481 6.941 > 3 5 Li 0.00000000000000 0.25000000000000 0.15030791946519 6.941 > 1 6 Li 0.50000000000000 0.25000000000000 0.15030791946519 6.941 > 1 7 Li 0.00000000000000 0.75000000000000 0.84969208053481 6.941 > 3 8 Li 0.50000000000000 0.75000000000000 0.84969208053481 6.941 > 3 9 B 0.32927856999093 0.06239608577147 0.16442539915845 10.811 > 9 10 B 0.82927856999093 0.06239608577147 0.16442539915845 10.811 > 9 11 B 0.25000000000000 0.85000413274264 0.38083839482589 10.811 > 11 12 B 0.75000000000000 0.85000413274264 0.38083839482589 10.811 > 11 13 B 0.37555771765947 0.92028366307635 0.45624846566578 10.811 > 13 14 B 0.87555771765947 0.92028366307635 0.45624846566578 10.811 > 13 15 B 0.37555771765947 0.07971633692365 0.54375153433422 10.811 > 15 16 B 0.87555771765947 0.07971633692365 0.54375153433422 10.811 > 15 17 B 0.12444228234053 0.57971633692365 0.45624846566578 10.811 > 17 18 B 0.62444228234053 0.57971633692365 0.45624846566578 10.811 > 17 19 B 0.12444228234053 0.42028366307635 0.54375153433422 10.811 > 19 20 B 0.62444228234053 0.42028366307635 0.54375153433422 10.811 > 19 21 B 0.12444228234053 0.07971633692365 0.54375153433422 10.811 > 21 22 B 0.62444228234053 0.07971633692365 0.54375153433422 10.811 > 21 23 B 0.12444228234053 0.92028366307635 0.45624846566578 10.811 > 23 24 B 0.62444228234053 0.92028366307635 0.45624846566578 10.811 > 23 25 B 0.37555771765947 0.42028366307635 0.54375153433422 10.811 > 25 26 B 0.87555771765947 0.42028366307635 0.54375153433422 10.811 > 25 27 B 0.37555771765947 0.57971633692365 0.45624846566578 10.811 > 27 28 B 0.87555771765947 0.57971633692365 0.45624846566578 10.811 > 27 29 B 0.42072143000907 0.93760391422853 0.66442539915845 10.811 > 29 30 B 0.92072143000907 0.93760391422853 0.66442539915845 10.811 > 29 31 B 0.42072143000907 0.06239608577147 0.33557460084155 10.811 > 31 32 B 0.92072143000907 0.06239608577147 0.33557460084155 10.811 > 31 33 B 0.07927856999093 0.06239608577147 0.33557460084155 10.811 > 33 34 B 0.57927856999093 0.06239608577147 0.33557460084155 10.811 > 33 35 B 0.32927856999093 0.93760391422853 0.83557460084155 10.811 > 35 36 B 0.82927856999093 0.93760391422853 0.83557460084155 10.811 > 35 37 B 0.07927856999093 0.93760391422853 0.66442539915845 10.811 > 37 38 B 0.57927856999093 0.93760391422853 0.66442539915845 10.811 > 37 39 B 0.25000000000000 0.64999586725736 0.38083839482589 10.811 > 39 40 B 0.75000000000000 0.64999586725736 0.38083839482589 10.811 > 39 41 B 0.17072143000907 0.93760391422853 0.83557460084155 10.811 > 41 42 B 0.67072143000907 0.93760391422853 0.83557460084155 10.811 > 41 43 B 0.17072143000907 0.06239608577147 0.16442539915845 10.811 > 43 44 B 0.67072143000907 0.06239608577147 0.16442539915845 10.811 > 43 45 B 0.00000000000000 0.91461528091847 0.32928004866009 10.811 > 45 46 B 0.50000000000000 0.91461528091847 0.32928004866009 10.811 > 45 47 B 0.00000000000000 0.08538471908153 0.67071995133991 10.811 > 47 48 B 0.50000000000000 0.08538471908153 0.67071995133991 10.811 > 47 49 B 0.25000000000000 0.08538471908153 0.82928004866009 10.811 > 49 50 B 0.75000000000000 0.08538471908153 0.82928004866009 10.811 > 49 51 B 0.25000000000000 0.91461528091847 0.17071995133991 10.811 > 51 52 B 0.75000000000000 0.91461528091847 0.17071995133991 10.811 > 51 53 B 0.00000000000000 0.83364312823442 0.53105937124296 10.811 > 53 54 B 0.50000000000000 0.83364312823442 0.53105937124296 10.811 > 53 55 B 0.00000000000000 0.16635687176558 0.46894062875704 10.811 > 55 56 B 0.50000000000000 0.16635687176558 0.46894062875704 10.811 > 55 57 B 0.00000000000000 0.66635687176558 0.53105937124296 10.811 > 57 58 B 0.50000000000000 0.66635687176558 0.53105937124296 10.811 > 57 59 B 0.00000000000000 0.33364312823442 0.46894062875704 10.811 > 59 60 B 0.50000000000000 0.33364312823442 0.46894062875704 10.811 > 59 61 B 0.25000000000000 0.35000413274265 0.61916160517411 10.811 > 61 62 B 0.75000000000000 0.35000413274265 0.61916160517411 10.811 > 61 63 B 0.25000000000000 0.14999586725736 0.61916160517411 10.811 > 63 64 B 0.75000000000000 0.14999586725736 0.61916160517411 10.811 > 63 65 B 0.07927856999093 0.56239608577147 0.66442539915845 10.811 > 9 66 B 0.57927856999093 0.56239608577147 0.66442539915845 10.811 > 9 67 B 0.00000000000000 0.35000413274265 0.88083839482589 10.811 > 11 68 B 0.50000000000000 0.35000413274265 0.88083839482589 10.811 > 11 69 B 0.12555771765947 0.42028366307635 0.95624846566578 10.811 > 13 70 B 0.62555771765947 0.42028366307635 0.95624846566578 10.811 > 13 71 B 0.12555771765947 0.57971633692365 0.04375153433422 10.811 > 15 72 B 0.62555771765947 0.57971633692365 0.04375153433422 10.811 > 15 73 B 0.37444228234053 0.07971633692365 0.95624846566578 10.811 > 17 74 B 0.87444228234053 0.07971633692365 0.95624846566578 10.811 > 17 75 B 0.37444228234053 0.92028366307635 0.04375153433422 10.811 > 19 76 B 0.87444228234053 0.92028366307635 0.04375153433422 10.811 > 19 77 B 0.37444228234053 0.57971633692365 0.04375153433422 10.811 > 21 78 B 0.87444228234053 0.57971633692365 0.04375153433422 10.811 > 21 79 B 0.37444228234053 0.42028366307635 0.95624846566578 10.811 > 23 80 B 0.87444228234053 0.42028366307635 0.95624846566578 10.811 > 23 81 B 0.12555771765947 0.92028366307635 0.04375153433422 10.811 > 25 82 B 0.62555771765947 0.92028366307635 0.04375153433422 10.811 > 25 83 B 0.12555771765947 0.07971633692365 0.95624846566578 10.811 > 27 84 B 0.62555771765947 0.07971633692365 0.95624846566578 10.811 > 27 85 B 0.17072143000907 0.43760391422853 0.16442539915845 10.811 > 29 86 B 0.67072143000907 0.43760391422853 0.16442539915845 10.811 > 29 87 B 0.17072143000907 0.56239608577147 0.83557460084155 10.811 > 31 88 B 0.67072143000907 0.56239608577147 0.83557460084155 10.811 > 31 89 B 0.32927856999093 0.56239608577147 0.83557460084155 10.811 > 33 90 B 0.82927856999093 0.56239608577147 0.83557460084155 10.811 > 33 91 B 0.07927856999093 0.43760391422853 0.33557460084155 10.811 > 35 92 B 0.57927856999093 0.43760391422853 0.33557460084155 10.811 > 35 93 B 0.32927856999093 0.43760391422853 0.16442539915845 10.811 > 37 94 B 0.82927856999093 0.43760391422853 0.16442539915845 10.811 > 37 95 B 0.00000000000000 0.14999586725736 0.88083839482589 10.811 > 39 96 B 0.50000000000000 0.14999586725736 0.88083839482589 10.811 > 39 97 B 0.42072143000907 0.43760391422853 0.33557460084155 10.811 > 41 98 B 0.92072143000907 0.43760391422853 0.33557460084155 10.811 > 41 99 B 0.42072143000907 0.56239608577147 0.66442539915845 10.811 > 43 100 B 0.92072143000907 0.56239608577147 0.66442539915845 10.811 > 43 101 B 0.25000000000000 0.41461528091847 0.82928004866009 10.811 > 45 102 B 0.75000000000000 0.41461528091847 0.82928004866009 10.811 > 45 103 B 0.25000000000000 0.58538471908153 0.17071995133991 10.811 > 47 104 B 0.75000000000000 0.58538471908153 0.17071995133991 10.811 > 47 105 B 0.00000000000000 0.58538471908153 0.32928004866009 10.811 > 49 106 B 0.50000000000000 0.58538471908153 0.32928004866009 10.811 > 49 107 B 0.00000000000000 0.41461528091847 0.67071995133991 10.811 > 51 108 B 0.50000000000000 0.41461528091847 0.67071995133991 10.811 > 51 109 B 0.25000000000000 0.33364312823442 0.03105937124296 10.811 > 53 110 B 0.75000000000000 0.33364312823442 0.03105937124296 10.811 > 53 111 B 0.25000000000000 0.66635687176558 0.96894062875704 10.811 > 55 112 B 0.75000000000000 0.66635687176558 0.96894062875704 10.811 > 55 113 B 0.25000000000000 0.16635687176558 0.03105937124296 10.811 > 57 114 B 0.75000000000000 0.16635687176558 0.03105937124296 10.811 > 57 115 B 0.25000000000000 0.83364312823442 0.96894062875704 10.811 > 59 116 B 0.75000000000000 0.83364312823442 0.96894062875704 10.811 > 59 117 B 0.00000000000000 0.85000413274264 0.11916160517411 10.811 > 61 118 B 0.50000000000000 0.85000413274264 0.11916160517411 10.811 > 61 119 B 0.00000000000000 0.64999586725736 0.11916160517411 10.811 > 63 120 B 0.50000000000000 0.64999586725736 0.11916160517411 10.811 > 63 121 Al 0.12500000000000 0.25000000000000 0.75000000000000 26.982 > 121 122 Al 0.62500000000000 0.25000000000000 0.75000000000000 26.982 > 121 123 Al 0.37500000000000 0.25000000000000 0.75000000000000 26.982 > 123 124 Al 0.87500000000000 0.25000000000000 0.75000000000000 26.982 > 123 125 Al 0.37500000000000 0.75000000000000 0.25000000000000 26.982 > 121 126 Al 0.87500000000000 0.75000000000000 0.25000000000000 26.982 > 121 127 Al 0.12500000000000 0.75000000000000 0.25000000000000 26.982 > 123 128 Al 0.62500000000000 0.75000000000000 0.25000000000000 26.982 > 123 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.7874708 0.0000000 0.0000000 0.0000000 8.3783282 0.0000000 0.0000000 0.0000000 8.4358180 -------------------------- Born effective charges -------------------------- 1 Li 1.2838597 -0.0000000 0.0000000 -0.0000000 1.6657872 0.0000000 0.0000000 0.0000000 1.6787154 2 Li 1.2838597 -0.0000000 0.0000000 -0.0000000 1.6657872 0.0000000 0.0000000 0.0000000 1.6787154 3 B -0.1380161 0.0281663 0.2727424 0.0300254 -0.4770097 -0.0175739 0.2659793 -0.0115568 0.0482441 4 B -1.6079273 -0.0000000 0.0000000 -0.0000000 -0.6996918 0.0514751 0.0000000 -0.1777286 -1.1658455 5 B 0.3829888 0.4484242 0.3754816 0.4339321 -0.2893285 0.0845065 0.4179539 0.1418793 -0.3097781 6 B 0.3829888 -0.4484242 -0.3754816 -0.4339321 -0.2893285 0.0845065 -0.4179539 0.1418793 -0.3097781 7 B 0.3829888 0.4484242 -0.3754816 0.4339321 -0.2893285 -0.0845065 -0.4179539 -0.1418793 -0.3097781 8 B 0.3829888 -0.4484242 0.3754816 -0.4339321 -0.2893285 -0.0845065 0.4179539 -0.1418793 -0.3097781 9 B 0.3829888 0.4484242 0.3754816 0.4339321 -0.2893285 0.0845065 0.4179539 0.1418793 -0.3097781 10 B 0.3829888 -0.4484242 -0.3754816 -0.4339321 -0.2893285 0.0845065 -0.4179539 0.1418793 -0.3097781 11 B 0.3829888 0.4484242 -0.3754816 0.4339321 -0.2893285 -0.0845065 -0.4179539 -0.1418793 -0.3097781 12 B 0.3829888 -0.4484242 0.3754816 -0.4339321 -0.2893285 -0.0845065 0.4179539 -0.1418793 -0.3097781 13 B -0.1380161 0.0281663 -0.2727424 0.0300254 -0.4770097 0.0175739 -0.2659793 0.0115568 0.0482441 14 B -0.1380161 -0.0281663 0.2727424 -0.0300254 -0.4770097 0.0175739 0.2659793 0.0115568 0.0482441 15 B -0.1380161 0.0281663 -0.2727424 0.0300254 -0.4770097 0.0175739 -0.2659793 0.0115568 0.0482441 16 B -0.1380161 -0.0281663 -0.2727424 -0.0300254 -0.4770097 -0.0175739 -0.2659793 -0.0115568 0.0482441 17 B -0.1380161 -0.0281663 0.2727424 -0.0300254 -0.4770097 0.0175739 0.2659793 0.0115568 0.0482441 18 B -1.6079273 -0.0000000 0.0000000 -0.0000000 -0.6996918 -0.0514751 0.0000000 0.1777286 -1.1658455 19 B -0.1380161 0.0281663 0.2727424 0.0300254 -0.4770097 -0.0175739 0.2659793 -0.0115568 0.0482441 20 B -0.1380161 -0.0281663 -0.2727424 -0.0300254 -0.4770097 -0.0175739 -0.2659793 -0.0115568 0.0482441 21 B -0.8131290 -0.0000000 0.0000000 -0.0000000 -0.7990074 0.2249719 0.0000000 0.1544113 -0.0281836 22 B -0.8131290 -0.0000000 0.0000000 -0.0000000 -0.7990074 0.2249719 0.0000000 0.1544113 -0.0281836 23 B -0.8131290 -0.0000000 0.0000000 -0.0000000 -0.7990074 -0.2249719 0.0000000 -0.1544113 -0.0281836 24 B -0.8131290 -0.0000000 0.0000000 -0.0000000 -0.7990074 -0.2249719 0.0000000 -0.1544113 -0.0281836 25 B -0.4906162 -0.0000000 0.0000000 -0.0000000 0.1059723 -0.0143279 0.0000000 -0.0791938 -0.6283507 26 B -0.4906162 -0.0000000 0.0000000 -0.0000000 0.1059723 -0.0143279 0.0000000 -0.0791938 -0.6283507 27 B -0.4906162 -0.0000000 0.0000000 -0.0000000 0.1059723 0.0143279 0.0000000 0.0791938 -0.6283507 28 B -0.4906162 -0.0000000 0.0000000 -0.0000000 0.1059723 0.0143279 0.0000000 0.0791938 -0.6283507 29 B -1.6079273 -0.0000000 0.0000000 -0.0000000 -0.6996918 -0.0514751 0.0000000 0.1777286 -1.1658455 30 B -1.6079273 -0.0000000 0.0000000 -0.0000000 -0.6996918 0.0514751 0.0000000 -0.1777286 -1.1658455 31 Al 3.5595951 -0.0000000 0.1284289 -0.0000000 4.1850195 0.0000000 0.3499660 0.0000000 3.0121800 32 Al 3.5595951 -0.0000000 -0.1284289 -0.0000000 4.1850195 0.0000000 -0.3499660 0.0000000 3.0121800 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyx) 0.00000001 (yyx) 0.00000001 (yxy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 3 180 ] Grid generation matrix: [ 0 9 9 ] [ 5 0 5 ] [ 6 6 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.67, Number of G-points: 301, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.336 ( 0.000 0.000 0.000) 0.000 3.651 ( 0.000 0.000 0.000) 0.000 5.044 ( 0.000 0.000 0.000) 0.000 5.302 ( 0.000 0.000 0.000) 0.000 5.786 ( 0.000 0.000 0.000) 0.000 5.915 ( 0.000 0.000 0.000) 0.000 7.784 ( 0.000 0.000 0.000) 0.000 7.856 ( 0.000 0.000 0.000) 0.000 8.305 ( 0.000 0.000 0.000) 0.000 9.632 ( 0.000 0.000 0.000) 0.000 10.211 ( 0.000 0.000 0.000) 0.000 10.282 ( 0.000 0.000 0.000) 0.000 10.463 ( 0.000 0.000 0.000) 0.000 10.563 ( 0.000 0.000 0.000) 0.000 11.966 ( 0.000 0.000 0.000) 0.000 12.015 ( 0.000 0.000 0.000) 0.000 13.051 ( 0.000 0.000 0.000) 0.000 13.334 ( 0.000 0.000 0.000) 0.000 13.531 ( 0.000 0.000 0.000) 0.000 14.304 ( 0.000 0.000 0.000) 0.000 14.574 ( 0.000 0.000 0.000) 0.000 14.627 ( 0.000 0.000 0.000) 0.000 15.054 ( 0.000 0.000 0.000) 0.000 15.971 ( 0.000 0.000 0.000) 0.000 16.293 ( 0.000 0.000 0.000) 0.000 16.324 ( 0.000 0.000 0.000) 0.000 16.882 ( 0.000 0.000 0.000) 0.000 16.892 ( 0.000 0.000 0.000) 0.000 17.017 ( 0.000 0.000 0.000) 0.000 17.164 ( 0.000 0.000 0.000) 0.000 17.164 ( 0.000 0.000 0.000) 0.000 17.297 ( 0.000 0.000 0.000) 0.000 17.979 ( 0.000 0.000 0.000) 0.000 18.016 ( 0.000 0.000 0.000) 0.000 18.023 ( 0.000 0.000 0.000) 0.000 18.085 ( 0.000 0.000 0.000) 0.000 18.113 ( 0.000 0.000 0.000) 0.000 18.410 ( 0.000 0.000 0.000) 0.000 18.545 ( 0.000 0.000 0.000) 0.000 18.703 ( 0.000 0.000 0.000) 0.000 19.278 ( 0.000 0.000 0.000) 0.000 19.789 ( 0.000 0.000 0.000) 0.000 20.143 ( 0.000 0.000 0.000) 0.000 20.660 ( 0.000 0.000 0.000) 0.000 20.770 ( 0.000 0.000 0.000) 0.000 20.803 ( 0.000 0.000 0.000) 0.000 20.907 ( 0.000 0.000 0.000) 0.000 21.240 ( 0.000 0.000 0.000) 0.000 21.293 ( 0.000 0.000 0.000) 0.000 21.447 ( 0.000 0.000 0.000) 0.000 21.626 ( 0.000 0.000 0.000) 0.000 21.888 ( 0.000 0.000 0.000) 0.000 22.020 ( 0.000 0.000 0.000) 0.000 22.204 ( 0.000 0.000 0.000) 0.000 22.236 ( 0.000 0.000 0.000) 0.000 22.508 ( 0.000 0.000 0.000) 0.000 22.551 ( 0.000 0.000 0.000) 0.000 22.595 ( 0.000 0.000 0.000) 0.000 22.634 ( 0.000 0.000 0.000) 0.000 23.208 ( 0.000 0.000 0.000) 0.000 23.413 ( 0.000 0.000 0.000) 0.000 23.430 ( 0.000 0.000 0.000) 0.000 23.527 ( 0.000 0.000 0.000) 0.000 23.906 ( 0.000 0.000 0.000) 0.000 24.091 ( 0.000 0.000 0.000) 0.000 24.174 ( 0.000 0.000 0.000) 0.000 24.327 ( 0.000 0.000 0.000) 0.000 24.472 ( 0.000 0.000 0.000) 0.000 24.997 ( 0.000 0.000 0.000) 0.000 25.046 ( 0.000 0.000 0.000) 0.000 25.233 ( 0.000 0.000 0.000) 0.000 25.241 ( 0.000 0.000 0.000) 0.000 25.388 ( 0.000 0.000 0.000) 0.000 25.869 ( 0.000 0.000 0.000) 0.000 26.200 ( 0.000 0.000 0.000) 0.000 26.618 ( 0.000 0.000 0.000) 0.000 26.672 ( 0.000 0.000 0.000) 0.000 26.821 ( 0.000 0.000 0.000) 0.000 27.051 ( 0.000 0.000 0.000) 0.000 27.502 ( 0.000 0.000 0.000) 0.000 28.094 ( 0.000 0.000 0.000) 0.000 28.229 ( 0.000 0.000 0.000) 0.000 29.151 ( 0.000 0.000 0.000) 0.000 29.380 ( 0.000 0.000 0.000) 0.000 29.840 ( 0.000 0.000 0.000) 0.000 29.901 ( 0.000 0.000 0.000) 0.000 30.014 ( 0.000 0.000 0.000) 0.000 30.460 ( 0.000 0.000 0.000) 0.000 30.811 ( 0.000 0.000 0.000) 0.000 30.921 ( 0.000 0.000 0.000) 0.000 31.439 ( 0.000 0.000 0.000) 0.000 31.812 ( 0.000 0.000 0.000) 0.000 32.221 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( 25.234 -0.000 -3.452) 25.469 4.003 ( -6.728 0.000 -11.076) 12.959 4.832 ( 12.849 -0.000 7.340) 14.797 5.151 ( 19.049 -0.000 18.759) 26.735 5.289 ( 7.171 -0.000 -3.537) 7.996 5.696 ( 5.168 -0.000 10.278) 11.504 6.392 ( 28.284 -0.000 21.500) 35.528 6.564 ( 37.227 -0.000 24.449) 44.538 7.800 ( 0.894 -0.000 -0.247) 0.928 8.134 ( 5.458 -0.000 6.296) 8.333 8.280 ( -4.468 0.000 -2.062) 4.920 9.478 ( 31.305 -0.000 10.959) 33.168 9.671 ( -13.500 0.000 -1.747) 13.612 9.848 ( 37.550 -0.000 20.407) 42.737 10.183 ( -11.163 0.000 6.365) 12.851 10.544 ( -17.425 0.000 -29.312) 34.100 10.857 ( 21.057 -0.000 7.687) 22.416 11.137 ( 15.918 -0.000 2.505) 16.114 11.276 ( -19.257 0.000 12.082) 22.734 12.872 ( -1.449 0.000 -22.175) 22.223 12.997 ( -16.061 0.000 -29.245) 33.365 13.190 ( -7.571 0.000 3.065) 8.168 13.512 ( 3.174 0.000 -8.599) 9.166 13.882 ( 5.745 -0.000 7.934) 9.796 14.975 ( 5.991 -0.000 14.777) 15.945 15.553 ( 23.489 -0.000 -4.123) 23.848 15.586 ( 3.840 0.000 -8.416) 9.250 15.834 ( -10.011 -0.000 13.222) 16.584 16.311 ( -13.337 0.000 -7.508) 15.305 16.912 ( 12.885 -0.000 -8.263) 15.307 17.033 ( -0.023 -0.000 6.584) 6.584 17.235 ( -2.913 0.000 -4.959) 5.752 17.278 ( -11.375 0.000 5.942) 12.834 17.417 ( -8.103 0.000 1.364) 8.217 17.690 ( -11.481 0.000 -7.475) 13.700 17.690 ( 8.609 0.000 -17.125) 19.167 18.088 ( 11.437 -0.000 10.760) 15.703 18.216 ( 25.395 -0.000 -13.996) 28.996 18.722 ( -5.009 0.000 -8.666) 10.009 18.793 ( 1.660 0.000 -6.578) 6.785 18.917 ( 8.056 -0.000 3.772) 8.896 19.119 ( 7.442 -0.000 12.648) 14.675 19.175 ( 9.908 -0.000 10.655) 14.549 19.576 ( 1.371 -0.000 6.401) 6.546 19.666 ( -22.640 0.000 -26.902) 35.161 19.852 ( 5.495 -0.000 -0.251) 5.501 20.092 ( 4.396 -0.000 -2.809) 5.217 20.336 ( -10.626 0.000 0.881) 10.663 20.453 ( 9.163 -0.000 14.732) 17.349 20.658 ( 7.281 -0.000 2.229) 7.614 21.000 ( -26.363 0.000 8.751) 27.777 21.019 ( -19.160 0.000 10.714) 21.952 21.488 ( -15.789 0.000 -5.678) 16.779 21.774 ( -3.874 0.000 -2.628) 4.681 21.827 ( -13.398 0.000 -15.836) 20.743 21.945 ( 10.465 -0.000 6.450) 12.293 21.960 ( 1.899 -0.000 4.011) 4.438 22.292 ( 6.735 -0.000 -0.632) 6.765 22.342 ( -3.941 -0.000 4.489) 5.973 22.501 ( 5.823 -0.000 3.387) 6.737 22.722 ( 4.938 -0.000 -0.187) 4.942 22.872 ( 0.623 -0.000 7.362) 7.388 23.130 ( -1.144 0.000 -6.101) 6.207 23.217 ( 8.550 -0.000 -6.157) 10.536 23.400 ( 1.598 0.000 -6.400) 6.596 23.548 ( 2.021 -0.000 7.550) 7.815 23.832 ( 1.208 0.000 -3.894) 4.077 23.986 ( -19.089 0.000 -0.215) 19.091 24.033 ( -0.644 -0.000 2.906) 2.976 24.075 ( -10.932 0.000 7.239) 13.112 24.368 ( -4.241 0.000 -3.033) 5.214 24.421 ( -14.930 0.000 -5.073) 15.768 24.865 ( 1.689 0.000 -5.160) 5.430 25.102 ( 2.023 -0.000 3.862) 4.360 25.295 ( -3.383 0.000 1.817) 3.840 25.385 ( -2.006 0.000 1.409) 2.452 25.503 ( 0.940 -0.000 5.611) 5.690 25.574 ( -1.007 -0.000 3.010) 3.174 26.678 ( -3.513 0.000 -0.891) 3.624 26.842 ( -2.437 0.000 1.496) 2.860 26.924 ( -0.519 -0.000 3.296) 3.336 27.046 ( -4.572 -0.000 6.242) 7.738 27.830 ( -1.656 0.000 -6.829) 7.027 27.978 ( 7.111 -0.000 -6.551) 9.668 28.631 ( 6.434 -0.000 -1.867) 6.700 29.141 ( 5.070 0.000 -5.963) 7.827 29.748 ( 6.527 -0.000 5.627) 8.618 29.967 ( 2.373 -0.000 3.587) 4.301 30.268 ( 7.669 -0.000 -0.168) 7.671 30.350 ( 4.772 0.000 -5.216) 7.069 30.595 ( -8.345 0.000 0.930) 8.396 30.611 ( -2.166 -0.000 7.451) 7.759 30.945 ( 0.986 -0.000 0.507) 1.109 31.181 ( -3.137 0.000 -6.337) 7.071 31.925 ( 3.512 -0.000 -0.796) 3.601 32.128 ( -2.757 0.000 0.352) 2.780 ======================= Grid point 3 (3/105) ======================= q-point: ( 0.39 0.11 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 18.702 -0.166 1.045) 18.732 3.362 ( 13.390 0.104 -0.942) 13.424 5.036 ( -4.280 1.270 1.041) 4.584 5.088 ( 0.964 0.346 -0.959) 1.403 5.233 ( 15.648 4.823 19.609) 25.547 5.957 ( -3.519 -2.228 -7.353) 8.451 6.655 ( 29.627 18.588 47.331) 58.851 7.141 ( -4.115 9.871 11.072) 15.394 7.501 ( -8.829 -9.935 -21.891) 25.610 7.992 ( 1.542 -3.112 1.918) 3.968 8.348 ( -1.777 -0.786 -0.785) 2.096 8.404 ( 5.415 -4.690 -4.338) 8.374 8.648 ( -0.259 -8.858 -14.899) 17.335 9.503 ( 34.144 9.865 44.464) 56.923 10.398 ( 4.812 11.507 -23.847) 26.912 10.698 ( 8.117 -17.256 -12.586) 22.849 11.289 ( 7.638 25.947 -3.987) 27.341 11.353 ( -12.431 4.930 3.366) 13.790 12.018 ( -9.236 0.612 10.978) 14.359 12.118 ( 2.632 -16.082 -17.429) 23.860 12.417 ( 15.750 0.318 6.954) 17.220 12.614 ( -4.974 -8.431 -1.384) 9.887 12.862 ( 2.018 0.881 -1.916) 2.918 13.182 ( 0.586 -26.795 -4.692) 27.209 14.799 ( 7.057 -0.820 1.026) 7.178 15.187 ( 5.066 9.954 1.893) 11.328 15.748 ( -0.560 -7.654 1.654) 7.851 16.045 ( -9.611 1.374 -2.850) 10.118 16.649 ( -5.375 2.708 0.048) 6.019 16.899 ( -13.661 -2.990 -0.942) 14.016 17.065 ( 6.344 0.073 1.637) 6.552 17.237 ( -12.993 0.837 -0.331) 13.024 17.492 ( 6.094 0.560 1.625) 6.332 17.646 ( 5.403 11.808 -1.586) 13.082 17.769 ( -8.115 1.490 0.102) 8.251 18.045 ( -1.054 -0.335 -0.126) 1.113 18.157 ( 0.820 -4.609 -1.726) 4.990 18.231 ( -0.311 -1.178 0.222) 1.239 18.451 ( -3.419 4.198 4.823) 7.251 18.581 ( 2.229 -3.646 -4.516) 6.217 18.757 ( -2.092 5.993 -0.290) 6.354 18.980 ( -5.047 4.226 4.445) 7.943 19.046 ( 1.172 2.293 0.916) 2.733 19.295 ( 6.881 6.455 3.137) 9.943 19.345 ( 22.913 2.684 -9.265) 24.861 19.599 ( 7.561 0.595 3.501) 8.353 19.776 ( 20.680 -1.515 -8.253) 22.317 20.278 ( -3.202 11.800 3.794) 12.802 20.499 ( 2.855 -2.330 6.859) 7.787 20.729 ( -7.347 -24.780 -5.030) 26.331 21.299 ( -1.872 0.035 -3.880) 4.308 21.484 ( -4.373 10.389 -2.134) 11.472 21.667 ( 3.553 -5.156 5.320) 8.216 21.812 ( -4.671 -1.742 -0.960) 5.077 21.889 ( 1.488 -2.515 -11.987) 12.338 22.047 ( -0.719 -3.699 3.946) 5.456 22.118 ( 3.138 -2.491 2.955) 4.978 22.304 ( -1.737 1.422 8.235) 8.536 22.383 ( -4.306 -2.432 -5.004) 7.035 22.580 ( -27.891 -0.657 -2.411) 28.002 22.684 ( -3.612 -0.188 -3.222) 4.844 22.948 ( -2.856 1.781 -6.985) 7.754 23.087 ( -8.028 0.456 3.517) 8.777 23.328 ( 0.209 2.930 0.759) 3.034 23.383 ( 0.583 -0.619 3.686) 3.783 23.731 ( 3.904 2.456 -1.614) 4.887 23.971 ( 2.030 3.383 2.113) 4.476 24.058 ( -0.098 -2.449 -0.276) 2.467 24.095 ( 5.340 -1.578 -2.498) 6.103 24.169 ( 7.091 -0.915 4.013) 8.199 24.670 ( 1.541 4.573 4.781) 6.794 24.864 ( -14.171 -0.232 -1.494) 14.251 24.996 ( -5.820 -2.731 -1.537) 6.610 25.287 ( -3.080 0.399 7.676) 8.281 25.293 ( 0.101 -0.164 -7.895) 7.897 25.477 ( -1.874 0.977 1.366) 2.516 25.752 ( -10.408 -0.380 -0.880) 10.452 25.875 ( -11.732 -0.374 3.200) 12.166 26.684 ( 6.579 -0.317 -0.084) 6.588 26.858 ( 0.457 -0.384 0.765) 0.970 26.946 ( 1.028 0.024 0.457) 1.125 27.205 ( 0.083 0.212 -0.686) 0.723 27.698 ( 0.270 3.197 -10.380) 10.864 27.787 ( 0.825 -3.617 10.697) 11.322 28.595 ( 2.583 0.594 2.912) 3.938 28.791 ( 2.815 -0.291 -2.843) 4.011 29.653 ( 6.355 4.156 0.871) 7.643 29.833 ( 7.045 -3.371 -0.448) 7.823 29.988 ( 0.070 0.026 1.101) 1.104 30.049 ( 3.424 -0.609 0.007) 3.478 30.772 ( -1.152 0.070 0.376) 1.214 30.928 ( -2.997 -0.048 0.502) 3.039 30.940 ( -1.468 -0.002 0.579) 1.578 31.101 ( -0.813 -0.012 -1.918) 2.084 31.763 ( 2.891 0.102 -0.880) 3.024 32.217 ( -1.265 -0.089 0.357) 1.317 ======================= Grid point 4 (4/105) ======================= q-point: (-0.61 0.44 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.420 ( 25.613 1.332 3.174) 25.843 3.879 ( -19.672 -0.222 9.398) 21.803 4.930 ( 13.720 8.675 -8.461) 18.305 5.223 ( -1.360 0.756 -3.280) 3.630 5.519 ( -1.460 -6.173 2.335) 6.759 5.626 ( -10.476 -2.918 -0.314) 10.879 7.442 ( 31.912 -15.904 -0.165) 35.656 7.675 ( 8.933 -5.748 -0.916) 10.662 7.764 ( -4.563 -0.586 -4.258) 6.268 7.916 ( -23.230 -2.267 -2.007) 23.426 8.541 ( 29.002 -1.136 -4.683) 29.399 9.105 ( -18.671 -2.621 5.929) 19.764 9.432 ( -11.182 12.897 0.152) 17.070 9.620 ( -18.209 2.927 -8.726) 20.402 10.143 ( 15.859 21.274 -6.171) 27.243 10.782 ( -11.058 -10.472 -0.808) 15.251 11.306 ( 46.399 -17.390 -6.762) 50.010 11.770 ( -18.664 2.617 -6.410) 19.907 11.900 ( -8.273 10.147 20.634) 24.437 12.205 ( 0.962 -24.788 21.013) 32.511 12.913 ( -5.717 10.717 5.806) 13.462 13.063 ( 5.635 -11.435 6.186) 14.169 13.679 ( 9.489 1.736 3.902) 10.406 14.000 ( -11.312 -0.866 -4.973) 12.388 14.827 ( -5.314 9.632 -17.292) 20.494 14.938 ( 2.406 -10.529 -17.186) 20.298 15.967 ( 9.229 2.791 7.061) 11.951 16.208 ( -0.797 -5.549 2.634) 6.193 16.448 ( 10.533 3.050 11.207) 15.680 16.630 ( -10.082 3.857 7.902) 13.378 16.994 ( -0.399 -1.364 3.534) 3.809 17.042 ( -3.347 -2.282 5.158) 6.559 17.440 ( -0.249 6.667 -4.802) 8.220 17.614 ( -7.059 0.050 1.529) 7.223 17.925 ( 1.970 14.502 0.542) 14.645 18.024 ( 5.056 -2.657 -14.771) 15.836 18.218 ( 21.785 6.139 -1.431) 22.679 18.388 ( 2.466 2.354 1.362) 3.671 18.448 ( -1.385 8.266 2.918) 8.874 18.509 ( 9.321 -0.778 3.384) 9.947 18.797 ( -5.083 4.833 -7.178) 10.036 18.981 ( -8.325 -7.098 -6.309) 12.629 19.143 ( 13.348 4.107 8.072) 16.130 19.407 ( 6.616 12.707 -0.488) 14.334 19.653 ( 4.261 1.490 10.263) 11.212 19.829 ( 0.268 -9.437 -7.799) 12.246 19.970 ( 3.415 0.778 -5.470) 6.495 20.042 ( 1.083 -4.347 -8.749) 9.829 20.413 ( -14.193 0.036 6.925) 15.793 20.533 ( -10.777 -6.162 2.409) 12.645 20.769 ( -2.951 -1.838 -9.126) 9.766 20.943 ( -4.851 -12.844 -12.813) 18.779 21.437 ( -4.142 5.348 1.543) 6.938 21.533 ( -0.837 -2.384 2.738) 3.726 21.929 ( 8.514 3.132 1.903) 9.269 21.996 ( 0.188 4.045 -1.682) 4.385 22.217 ( 3.172 1.167 1.661) 3.766 22.298 ( -1.660 -2.319 3.584) 4.580 22.309 ( -4.614 0.488 2.171) 5.122 22.414 ( -2.926 -8.100 1.187) 8.694 22.842 ( 13.649 -2.116 6.053) 15.080 22.905 ( 6.739 0.589 7.610) 10.182 23.296 ( -0.237 -1.025 -5.213) 5.318 23.372 ( -0.988 -0.029 2.833) 3.001 23.445 ( -9.008 -0.558 3.380) 9.637 23.575 ( -18.079 0.853 -5.776) 18.998 23.756 ( 0.586 2.261 -6.421) 6.833 23.853 ( -5.676 -2.273 -1.919) 6.408 23.983 ( 0.284 7.604 1.808) 7.821 24.118 ( -3.046 0.638 -0.145) 3.116 24.342 ( 0.555 -2.748 10.432) 10.802 24.425 ( -4.961 -3.104 8.752) 10.528 24.818 ( 4.212 4.971 -1.714) 6.737 25.002 ( -2.641 -5.249 -7.218) 9.307 25.175 ( 2.302 -1.445 -1.772) 3.244 25.239 ( -4.355 0.316 -4.870) 6.541 25.495 ( 1.230 1.310 -3.408) 3.853 25.538 ( -0.694 -1.001 -0.334) 1.263 26.675 ( -1.459 1.868 -0.369) 2.399 26.712 ( -1.952 -1.444 -1.340) 2.774 26.828 ( 0.151 2.536 -2.685) 3.696 26.892 ( -1.593 -2.094 -4.220) 4.974 27.899 ( 6.233 6.765 4.327) 10.165 28.147 ( -4.006 -8.196 6.725) 11.333 29.111 ( 1.182 6.714 6.676) 9.542 29.212 ( 4.029 -5.725 6.504) 9.556 29.853 ( 1.195 1.252 -4.502) 4.823 29.911 ( -2.178 -1.787 -4.227) 5.079 30.295 ( 5.389 1.586 -1.712) 5.873 30.372 ( 1.866 1.757 -0.667) 2.649 30.412 ( 0.866 -0.431 -5.446) 5.531 30.537 ( -5.889 -2.785 1.481) 6.681 31.047 ( 4.787 -1.086 1.798) 5.228 31.107 ( -4.034 1.772 1.930) 4.810 31.981 ( 4.639 0.755 -0.082) 4.700 32.079 ( -4.116 -0.683 0.178) 4.176 ======================= Grid point 5 (5/105) ======================= q-point: ( 0.39 -0.23 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -29.179 -1.979 -2.395) 29.344 4.034 ( -22.336 -5.648 -12.755) 26.334 4.659 ( -33.630 30.508 14.890) 47.785 4.822 ( -2.048 7.973 9.749) 12.760 5.132 ( -23.557 19.036 6.531) 30.983 5.304 ( -21.152 18.191 12.327) 30.501 5.980 ( 7.736 3.393 5.778) 10.235 6.377 ( -7.170 15.051 20.244) 26.225 7.513 ( -81.116 50.324 30.836) 100.315 7.856 ( -4.273 3.137 0.139) 5.302 8.112 ( -6.999 -1.035 10.640) 12.777 8.332 ( 1.265 -0.600 -0.205) 1.415 9.618 ( 11.243 -2.236 -14.243) 18.283 9.846 ( -7.172 -20.868 -23.556) 32.277 10.426 ( 7.050 -3.982 9.829) 12.734 10.769 ( 15.854 16.725 2.192) 23.149 11.323 ( 8.414 14.840 1.009) 17.089 11.391 ( 16.033 -0.441 -8.621) 18.209 11.884 ( 1.898 -4.898 -1.026) 5.353 12.658 ( -5.131 -4.475 -6.117) 9.153 12.895 ( -5.489 -21.135 -1.112) 21.865 12.966 ( -19.682 -14.184 -8.022) 25.553 13.574 ( 12.770 -1.871 -25.252) 28.359 13.877 ( 0.206 -3.282 -14.708) 15.071 14.802 ( 3.820 7.454 5.983) 10.293 15.135 ( 2.546 -0.031 9.357) 9.697 15.770 ( -6.117 -0.674 -5.463) 8.229 15.906 ( -2.419 -2.342 -1.860) 3.846 16.591 ( 4.209 -2.673 -0.276) 4.994 16.815 ( 4.826 0.490 -0.830) 4.922 17.153 ( -7.703 -0.372 -3.647) 8.531 17.254 ( 5.545 -2.931 -3.278) 7.077 17.458 ( -1.728 3.392 -0.751) 3.880 17.562 ( -5.683 2.625 -1.066) 6.350 17.779 ( -1.709 0.547 -4.722) 5.051 17.878 ( -3.402 -4.523 5.990) 8.240 18.022 ( -8.238 -7.684 13.200) 17.354 18.209 ( -1.057 -2.953 -2.479) 3.997 18.309 ( -7.071 12.995 -4.195) 15.377 18.535 ( -2.384 10.745 3.339) 11.502 18.707 ( -16.359 -2.944 6.682) 17.915 18.877 ( -6.218 -0.607 12.746) 14.194 19.022 ( 3.707 -2.827 -5.607) 7.292 19.397 ( -13.272 2.666 14.547) 19.871 19.543 ( 9.756 -9.791 -9.431) 16.733 19.973 ( 2.774 -8.339 7.449) 11.520 20.107 ( 8.669 -8.622 -6.704) 13.944 20.253 ( 0.516 -7.476 -10.508) 12.906 20.633 ( 6.314 -2.463 -1.481) 6.937 20.823 ( 3.903 8.130 -6.288) 10.995 21.000 ( 7.322 1.850 6.318) 9.846 21.319 ( 12.311 -8.751 2.818) 15.365 21.511 ( 4.164 2.616 13.639) 14.498 21.598 ( 4.822 6.439 -1.010) 8.107 21.738 ( -0.291 -4.819 12.204) 13.124 21.972 ( -3.442 2.476 1.040) 4.365 22.062 ( -5.578 -9.283 -2.689) 11.159 22.202 ( -0.140 1.405 -1.109) 1.796 22.334 ( 4.130 -0.276 -2.037) 4.613 22.477 ( 0.294 -1.381 -4.991) 5.187 22.553 ( -0.995 -0.937 -1.610) 2.112 22.671 ( 0.170 -1.483 1.268) 1.959 23.250 ( -3.358 1.178 -2.449) 4.320 23.332 ( -1.125 5.078 -1.093) 5.315 23.450 ( 2.198 3.375 -0.217) 4.034 23.796 ( 1.163 3.172 -1.132) 3.563 23.895 ( -2.988 0.355 0.635) 3.075 24.017 ( -1.977 1.439 0.972) 2.632 24.085 ( 1.298 -1.447 0.952) 2.165 24.420 ( 12.693 8.857 3.382) 15.843 24.541 ( -0.127 5.085 -4.082) 6.522 24.903 ( 7.000 -0.912 -11.081) 13.138 25.018 ( 17.849 -5.120 -5.922) 19.490 25.088 ( 3.208 -1.923 -0.558) 3.782 25.295 ( 9.694 0.160 1.141) 9.762 25.385 ( 6.792 1.157 7.927) 10.503 25.473 ( 3.219 2.639 3.051) 5.161 25.507 ( 6.455 3.488 3.194) 8.002 26.767 ( -2.163 -0.483 -0.010) 2.216 26.818 ( 3.204 0.965 -0.497) 3.383 26.871 ( -0.026 0.991 2.577) 2.761 26.999 ( 5.306 -0.095 6.796) 8.623 27.743 ( -9.701 -7.190 -3.039) 12.452 28.114 ( 1.511 5.397 -6.191) 8.351 28.673 ( -13.553 6.675 -2.583) 15.327 29.095 ( -3.602 -3.657 -4.659) 6.932 29.702 ( -4.137 6.203 0.681) 7.487 29.877 ( -2.255 -0.021 3.982) 4.577 30.077 ( -7.607 -2.358 -2.048) 8.223 30.224 ( -6.332 -3.142 -3.018) 7.686 30.480 ( 1.228 -1.226 8.238) 8.419 30.749 ( 6.694 2.068 0.083) 7.007 30.919 ( -0.878 0.073 0.663) 1.102 31.295 ( 2.571 -2.808 -3.655) 5.278 31.829 ( -4.019 -1.832 0.383) 4.433 32.195 ( 2.478 0.881 -0.513) 2.679 ======================= Grid point 6 (6/105) ======================= q-point: (-0.21 0.21 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 27.012 5.808 0.000) 27.629 3.717 ( 62.185 -44.398 -0.000) 76.408 3.812 ( 71.383 -26.909 0.000) 76.286 4.707 ( -16.035 -0.516 -0.000) 16.044 4.747 ( 34.321 10.327 0.000) 35.841 5.295 ( 1.799 2.712 0.000) 3.255 5.680 ( 48.256 -9.601 0.000) 49.202 5.959 ( 3.974 -7.169 -0.000) 8.197 6.334 ( 62.798 -28.238 -0.000) 68.855 7.862 ( 3.911 0.925 0.000) 4.019 7.967 ( 5.255 -0.881 0.000) 5.329 8.345 ( -0.223 0.604 0.000) 0.644 9.735 ( -6.097 -0.400 -0.000) 6.111 10.192 ( -12.587 -11.769 -0.000) 17.232 10.317 ( -9.341 -0.934 -0.000) 9.388 10.695 ( -7.111 -35.230 -0.000) 35.940 10.746 ( 8.275 14.132 0.000) 16.376 11.533 ( -24.291 5.809 -0.000) 24.976 12.087 ( 2.306 -1.246 -0.000) 2.621 12.925 ( -1.063 13.865 0.000) 13.906 13.328 ( 8.293 19.886 0.000) 21.546 13.339 ( 17.719 10.167 0.000) 20.428 13.995 ( -14.734 6.587 0.000) 16.139 14.046 ( -25.038 6.637 -0.000) 25.902 14.522 ( -8.541 -7.589 -0.000) 11.425 15.046 ( -5.309 -0.049 -0.000) 5.309 15.889 ( -1.582 -1.701 -0.000) 2.323 15.913 ( 11.527 -0.597 0.000) 11.543 16.525 ( 6.765 -4.184 -0.000) 7.954 16.711 ( -7.432 -3.108 -0.000) 8.056 17.148 ( 6.234 -3.060 -0.000) 6.944 17.348 ( -0.322 2.025 0.000) 2.051 17.414 ( 6.763 -26.338 -0.000) 27.193 17.613 ( -5.346 4.260 0.000) 6.836 17.785 ( 13.243 3.796 0.000) 13.777 17.849 ( 2.345 -7.546 -0.000) 7.902 17.852 ( 3.900 -0.361 0.000) 3.917 18.055 ( 3.608 10.593 0.000) 11.190 18.479 ( 1.327 -0.147 0.000) 1.335 18.564 ( 27.855 3.514 0.000) 28.076 18.611 ( 3.341 -2.163 -0.000) 3.980 18.629 ( 21.542 3.936 0.000) 21.899 19.055 ( -5.729 -2.216 -0.000) 6.143 19.487 ( 27.286 11.642 0.000) 29.666 19.815 ( -17.744 4.916 -0.000) 18.413 20.006 ( -9.521 3.844 -0.000) 10.268 20.367 ( -11.825 10.058 0.000) 15.524 20.516 ( -8.104 0.401 -0.000) 8.114 20.634 ( -1.046 4.054 0.000) 4.187 20.739 ( -14.748 -7.686 -0.000) 16.631 20.999 ( -5.254 -4.680 -0.000) 7.036 21.080 ( -4.583 -5.183 -0.000) 6.919 21.324 ( 1.469 -2.810 -0.000) 3.171 21.554 ( -4.940 -4.740 -0.000) 6.847 21.801 ( -4.343 20.787 0.000) 21.236 21.973 ( -1.273 -0.050 -0.000) 1.274 22.152 ( -2.793 -1.386 -0.000) 3.118 22.230 ( 0.798 4.683 0.000) 4.750 22.448 ( -3.201 3.232 0.000) 4.549 22.486 ( -0.544 -5.673 -0.000) 5.699 22.599 ( 1.666 0.468 0.000) 1.731 22.711 ( 0.976 4.601 0.000) 4.704 23.250 ( 4.445 -1.707 0.000) 4.762 23.252 ( 1.329 -1.741 -0.000) 2.191 23.425 ( -9.526 -1.695 -0.000) 9.675 23.699 ( 7.301 -4.449 -0.000) 8.550 23.928 ( -8.015 2.738 -0.000) 8.470 23.996 ( 2.035 -4.236 -0.000) 4.699 24.042 ( 0.272 -0.449 -0.000) 0.525 24.162 ( -3.448 -10.247 -0.000) 10.811 24.496 ( -2.075 -3.298 -0.000) 3.896 25.127 ( -3.499 0.889 -0.000) 3.611 25.149 ( -20.943 0.517 -0.000) 20.950 25.188 ( -4.465 -0.420 -0.000) 4.484 25.215 ( -2.490 6.334 0.000) 6.806 25.268 ( -22.577 -4.513 -0.000) 23.024 25.329 ( 0.444 0.358 0.000) 0.570 25.452 ( 1.841 -1.246 -0.000) 2.223 26.766 ( -1.906 -1.159 -0.000) 2.231 26.809 ( 1.092 -1.098 -0.000) 1.548 26.809 ( 2.391 -0.605 0.000) 2.466 26.925 ( -6.381 0.684 -0.000) 6.418 27.922 ( 13.018 6.013 0.000) 14.339 28.089 ( -2.038 -3.294 -0.000) 3.874 28.573 ( 13.765 -5.664 0.000) 14.885 29.204 ( 4.068 2.222 0.000) 4.636 29.568 ( 5.449 -5.432 -0.000) 7.694 29.840 ( -0.029 -0.015 -0.000) 0.033 30.165 ( 7.344 2.840 0.000) 7.874 30.387 ( 4.355 7.206 0.000) 8.420 30.397 ( -2.240 1.127 0.000) 2.508 30.709 ( -5.690 -1.443 -0.000) 5.870 30.910 ( 0.298 -0.242 -0.000) 0.384 31.378 ( -2.646 1.572 0.000) 3.078 31.859 ( 3.222 1.341 0.000) 3.490 32.185 ( -2.288 -0.572 -0.000) 2.358 ======================= Grid point 7 (7/105) ======================= q-point: (-0.21 0.54 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.337 ( -22.563 -0.825 -3.535) 22.853 3.679 ( 14.805 -0.644 -6.107) 16.028 5.008 ( -10.624 -3.833 8.892) 14.375 5.252 ( -4.971 -1.044 2.931) 5.864 5.514 ( 5.666 -0.818 -2.891) 6.413 5.707 ( 10.230 4.660 -1.001) 11.286 7.489 ( -2.598 -1.487 -6.363) 7.032 7.732 ( -2.423 0.286 1.490) 2.858 7.894 ( 9.683 2.120 0.196) 9.914 8.082 ( 8.786 11.580 -2.998) 14.842 8.635 ( 6.835 -9.743 -8.760) 14.778 8.972 ( -10.496 10.628 2.820) 15.201 9.418 ( -19.935 -0.467 15.766) 25.421 9.769 ( 8.928 -9.833 14.954) 20.000 10.010 ( -4.155 -12.633 11.814) 17.788 10.508 ( -1.658 -10.989 -18.206) 21.330 11.489 ( 11.544 12.953 -12.424) 21.341 11.693 ( -4.143 -3.302 1.195) 5.431 12.083 ( 5.974 14.528 4.316) 16.291 12.188 ( -3.684 3.254 -13.625) 14.484 12.557 ( 8.285 19.256 -11.126) 23.732 13.199 ( -13.510 -6.028 0.400) 14.800 13.534 ( 5.220 -5.363 -11.173) 13.448 13.981 ( -1.495 4.368 1.772) 4.946 15.134 ( 2.449 -6.037 23.359) 24.251 15.421 ( -3.985 6.656 7.551) 10.826 15.745 ( -8.617 -2.018 -10.092) 13.423 16.126 ( 7.610 -6.405 -4.659) 10.984 16.328 ( -12.080 -4.693 2.128) 13.133 16.505 ( 2.904 15.147 -4.601) 16.095 17.002 ( 0.008 2.987 0.118) 2.989 17.075 ( -4.166 3.686 1.076) 5.665 17.367 ( 1.498 -5.028 -0.711) 5.294 17.505 ( 2.721 -11.274 -3.227) 12.038 17.580 ( -1.466 -13.536 4.586) 14.367 17.982 ( -4.300 -8.588 -5.559) 11.097 18.183 ( -9.553 0.496 -8.556) 12.834 18.235 ( 1.585 -4.567 0.614) 4.874 18.381 ( -4.944 4.073 -3.295) 7.203 18.562 ( -9.230 -2.806 6.209) 11.472 18.718 ( -7.565 0.578 0.279) 7.592 18.899 ( -15.718 -8.657 2.359) 18.099 19.349 ( 8.281 0.989 11.840) 14.482 19.360 ( 7.249 -2.226 17.426) 19.004 19.679 ( -11.177 7.150 -0.867) 13.297 20.023 ( 1.142 7.573 -1.284) 7.765 20.175 ( 7.288 -2.591 -2.543) 8.142 20.278 ( -13.304 13.276 0.057) 18.795 20.484 ( 15.860 0.573 6.449) 17.131 20.573 ( 10.952 3.724 7.912) 14.015 20.959 ( 6.017 -0.723 5.640) 8.279 21.187 ( 15.051 -7.032 -7.114) 18.072 21.329 ( 0.337 5.804 -2.364) 6.276 21.389 ( -1.025 -1.709 -8.802) 9.025 21.734 ( -2.016 -4.897 -3.525) 6.362 22.045 ( 2.366 0.693 -5.834) 6.333 22.133 ( -3.682 -2.526 5.968) 7.454 22.242 ( 2.958 0.401 -3.587) 4.667 22.358 ( -4.250 3.551 8.239) 9.927 22.558 ( -4.645 5.115 0.638) 6.939 22.725 ( -5.322 5.594 -8.245) 11.295 22.810 ( -6.241 0.671 -1.968) 6.579 23.254 ( -1.347 -1.090 -4.548) 4.867 23.350 ( 5.607 -2.035 -6.312) 8.685 23.452 ( -8.046 -2.415 5.404) 9.989 23.613 ( 14.529 -4.980 2.996) 15.648 23.804 ( 13.976 -1.465 3.829) 14.565 23.836 ( 2.685 -1.810 2.680) 4.204 23.983 ( 0.283 2.523 1.461) 2.929 24.095 ( 1.962 -1.492 1.031) 2.671 24.141 ( 5.061 0.630 -13.292) 14.237 24.306 ( 2.975 1.823 -6.130) 7.054 24.825 ( -8.525 -0.122 2.395) 8.856 25.159 ( 4.814 4.596 -0.545) 6.678 25.290 ( -1.955 0.144 4.547) 4.951 25.312 ( 5.359 -0.684 3.298) 6.329 25.540 ( -1.563 -0.228 1.626) 2.267 25.572 ( 0.017 -0.815 3.277) 3.377 26.630 ( 0.636 -2.480 -0.054) 2.561 26.792 ( 1.472 1.437 2.468) 3.213 26.850 ( -0.461 -1.672 4.424) 4.752 27.017 ( 2.401 1.255 3.445) 4.383 27.737 ( -4.488 -2.337 -1.965) 5.428 28.097 ( 2.502 5.294 -10.308) 11.855 28.836 ( -0.129 -5.844 -6.193) 8.516 29.167 ( -3.439 3.289 -5.428) 7.219 29.930 ( -0.148 -1.511 5.127) 5.347 30.018 ( 1.181 0.077 2.813) 3.052 30.279 ( -6.779 1.108 -0.999) 6.942 30.369 ( -4.603 -2.071 3.045) 5.895 30.529 ( 5.825 2.130 -3.252) 7.003 30.596 ( 2.925 0.779 7.811) 8.377 30.972 ( -1.260 -1.266 -3.873) 4.265 31.071 ( -0.341 0.750 -1.386) 1.612 31.969 ( -3.665 -0.650 0.132) 3.724 32.089 ( 3.090 0.651 -0.172) 3.163 ======================= Grid point 8 (8/105) ======================= q-point: (-0.21 -0.12 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -23.396 -0.089 -2.766) 23.559 3.428 ( -20.717 -2.087 0.760) 20.835 4.039 ( -27.524 -24.504 -53.840) 65.244 4.634 ( -16.045 -27.267 -60.840) 68.574 5.062 ( 2.436 -0.050 -4.779) 5.364 5.173 ( -4.023 -2.337 -0.207) 4.657 5.964 ( -23.642 -21.261 -30.211) 43.860 6.231 ( -10.123 -15.321 -26.409) 32.166 6.899 ( -18.408 -8.725 -46.016) 50.323 7.818 ( -1.220 -0.885 -6.070) 6.254 8.304 ( -3.801 -0.541 1.071) 3.986 8.678 ( 10.386 18.518 -14.941) 25.962 9.349 ( -1.825 6.334 15.239) 16.603 9.476 ( -11.141 22.914 38.743) 46.370 10.389 ( 6.033 -15.650 8.441) 18.777 10.716 ( -8.317 -22.332 -5.375) 24.429 10.927 ( 5.130 -17.821 0.217) 18.546 11.685 ( 20.121 -0.714 10.929) 22.909 11.898 ( 10.060 1.416 -1.447) 10.262 12.661 ( -22.214 8.067 32.494) 40.180 12.851 ( 1.313 15.341 19.743) 25.037 13.021 ( 1.178 15.811 6.645) 17.191 13.310 ( -1.723 19.594 13.512) 23.864 13.802 ( 0.182 20.491 7.587) 21.852 14.727 ( -3.642 -5.739 -2.283) 7.171 15.003 ( -3.025 -6.772 2.943) 7.980 15.749 ( 3.412 3.886 -2.607) 5.791 16.095 ( 5.180 1.882 -2.453) 6.032 16.622 ( 4.006 -3.425 4.024) 6.631 16.936 ( 2.576 -2.795 -2.780) 4.710 17.007 ( 0.467 0.954 -7.665) 7.739 17.256 ( -3.100 -0.210 1.142) 3.310 17.379 ( 0.789 -1.755 -1.137) 2.235 17.472 ( 1.719 -8.269 6.965) 10.948 17.733 ( 1.678 -12.284 1.260) 12.462 17.943 ( 14.220 3.304 -16.781) 22.243 18.096 ( -2.256 -1.513 0.143) 2.720 18.160 ( 1.614 -9.658 -3.275) 10.325 18.217 ( -2.322 -1.438 -7.300) 7.795 18.475 ( -18.043 -1.845 -1.949) 18.242 18.562 ( -8.386 1.657 -13.254) 15.771 18.803 ( -10.036 -6.014 -6.953) 13.610 19.074 ( 2.829 1.873 7.992) 8.682 19.336 ( -23.285 -0.251 -14.322) 27.338 19.480 ( 15.060 1.332 22.153) 26.820 19.619 ( -10.342 1.321 13.996) 17.453 20.085 ( -3.703 5.759 2.394) 7.254 20.286 ( -5.624 2.981 10.823) 12.556 20.370 ( -0.405 -11.243 10.512) 15.397 21.087 ( 14.318 3.278 -3.886) 15.193 21.357 ( 2.312 -2.403 -0.150) 3.338 21.486 ( -4.909 8.692 -5.640) 11.465 21.591 ( 1.071 7.679 0.890) 7.804 21.926 ( 7.222 -0.406 -15.901) 17.468 22.004 ( 3.376 6.186 -1.080) 7.129 22.071 ( -2.542 1.576 -1.530) 3.360 22.118 ( -0.681 3.669 1.046) 3.876 22.256 ( -0.954 0.836 10.006) 10.086 22.436 ( 3.075 -0.050 -0.983) 3.228 22.679 ( 10.582 6.194 -3.883) 12.862 22.761 ( 7.375 6.571 -16.751) 19.447 22.840 ( 10.705 2.650 -0.920) 11.066 23.106 ( 5.565 -5.709 3.198) 8.590 23.183 ( -0.480 -2.290 2.679) 3.557 23.405 ( 4.102 -2.060 7.501) 8.794 23.680 ( 2.130 -6.877 -2.101) 7.500 23.816 ( -1.271 -2.159 -1.870) 3.126 24.098 ( -2.136 0.423 1.472) 2.628 24.106 ( -4.402 4.558 -1.157) 6.441 24.285 ( -5.757 -3.941 7.453) 10.209 24.397 ( -1.576 -8.293 -5.174) 9.901 24.879 ( 9.264 0.439 0.925) 9.321 25.115 ( 1.974 0.043 -1.947) 2.773 25.171 ( -0.412 2.517 3.438) 4.281 25.381 ( 2.655 -2.434 -0.578) 3.648 25.514 ( 2.485 0.265 3.634) 4.410 25.668 ( 10.113 1.435 -5.117) 11.425 25.818 ( 16.220 -3.521 -0.379) 16.602 26.701 ( -5.338 1.073 0.121) 5.446 26.816 ( -3.168 -0.854 -2.697) 4.247 26.913 ( 1.169 -0.151 -1.911) 2.246 27.195 ( 0.494 0.188 -2.937) 2.984 27.661 ( -5.039 2.311 -4.862) 7.374 27.884 ( 0.328 -2.029 10.774) 10.968 28.446 ( -3.502 -2.092 -5.498) 6.846 28.957 ( -2.240 1.413 7.906) 8.338 29.526 ( -5.516 -4.446 -2.043) 7.373 29.907 ( -2.820 1.235 -2.110) 3.732 29.939 ( -3.940 0.250 1.041) 4.083 30.080 ( -6.935 1.539 1.281) 7.218 30.671 ( 0.537 -0.231 -7.145) 7.169 30.860 ( 4.302 -0.631 -2.877) 5.214 30.935 ( 0.149 0.271 -0.633) 0.704 31.250 ( 1.041 1.030 7.381) 7.525 31.796 ( -2.315 0.951 1.150) 2.754 32.210 ( 1.198 -0.318 -0.057) 1.241 ======================= Grid point 9 (9/105) ======================= q-point: ( 0.18 0.32 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 24.299 0.750 1.522) 24.358 3.808 ( -0.840 -1.287 -4.380) 4.642 4.934 ( 6.613 2.282 -0.724) 7.033 5.200 ( 5.405 -0.138 -3.017) 6.192 5.505 ( 0.473 5.738 8.181) 10.004 5.851 ( -6.482 -1.930 2.124) 7.089 6.998 ( 20.251 7.012 27.201) 34.630 7.294 ( 23.172 8.348 25.765) 35.644 7.869 ( 0.048 -0.739 7.508) 7.544 8.157 ( -6.169 -3.752 -1.208) 7.321 8.329 ( 3.417 6.279 6.786) 9.856 9.039 ( 3.220 -17.489 -15.268) 23.438 9.371 ( 27.907 -21.910 -27.313) 44.775 10.088 ( -0.507 21.257 3.280) 21.515 10.296 ( 3.150 11.989 -1.888) 12.539 10.397 ( -11.718 10.663 -0.818) 15.865 11.316 ( 1.228 -5.928 24.618) 25.351 11.477 ( 14.014 16.314 6.854) 22.572 11.594 ( 3.075 -19.481 13.178) 23.720 12.404 ( -12.454 -0.972 -5.026) 13.465 12.494 ( 7.602 -1.603 -8.935) 11.840 13.074 ( 1.985 -8.653 -5.474) 10.429 13.325 ( 7.687 -2.638 -1.386) 8.244 13.837 ( 8.385 -16.018 1.493) 18.142 15.154 ( 12.220 -2.351 5.095) 13.447 15.514 ( 9.875 3.193 2.368) 10.645 15.582 ( 0.788 8.165 -7.132) 10.870 15.942 ( 6.823 -4.730 0.428) 8.313 16.250 ( -11.734 3.487 0.482) 12.250 16.693 ( 2.235 -6.344 -7.292) 9.920 16.971 ( -3.834 -10.167 -1.138) 10.926 17.119 ( 0.702 1.824 -3.369) 3.895 17.450 ( -8.748 5.775 1.518) 10.592 17.542 ( -4.065 8.477 -4.607) 10.469 17.586 ( -3.687 2.911 -0.089) 4.698 17.778 ( 3.168 17.277 4.062) 18.028 18.006 ( 19.027 5.094 -4.570) 20.220 18.388 ( 1.706 8.765 8.482) 12.316 18.460 ( -5.835 -5.449 -4.990) 9.415 18.601 ( 3.273 2.481 -8.283) 9.245 18.818 ( 1.775 -9.143 -7.169) 11.753 19.027 ( -14.618 3.502 -21.415) 26.163 19.353 ( 5.036 0.790 0.188) 5.101 19.410 ( 19.235 1.420 3.468) 19.597 19.727 ( 2.986 -5.974 14.884) 16.314 19.862 ( -10.112 -1.797 -3.923) 10.994 20.017 ( 5.748 0.471 -4.953) 7.602 20.266 ( 0.336 1.874 -8.548) 8.758 20.697 ( 2.977 -1.078 5.213) 6.100 20.853 ( 10.045 0.529 16.431) 19.265 20.953 ( -13.401 -13.319 7.891) 20.475 21.350 ( -10.041 -2.299 -6.563) 12.214 21.358 ( -9.142 -0.976 -3.057) 9.689 21.475 ( -24.282 3.430 0.746) 24.534 21.817 ( -7.697 6.015 -2.417) 10.063 21.966 ( -0.257 -1.042 1.566) 1.899 22.109 ( 4.482 -0.314 8.026) 9.198 22.269 ( 5.919 0.104 -4.275) 7.302 22.355 ( -1.981 2.565 -4.864) 5.845 22.442 ( 4.062 -5.649 -2.703) 7.464 22.677 ( 2.885 -3.416 -0.511) 4.500 22.734 ( 1.160 -9.115 -3.346) 9.779 23.093 ( 5.331 -1.448 3.233) 6.401 23.216 ( -0.607 3.233 5.477) 6.389 23.451 ( 4.591 8.938 -3.910) 10.782 23.732 ( 4.656 2.381 4.679) 7.018 23.850 ( -1.718 2.965 1.656) 3.806 24.030 ( -18.362 -0.777 5.665) 19.232 24.090 ( -5.417 0.698 -0.777) 5.516 24.233 ( -6.546 -0.603 7.248) 9.785 24.284 ( -6.404 0.217 -3.575) 7.338 24.303 ( -17.140 -0.751 -3.347) 17.480 24.765 ( 2.293 -0.665 -3.705) 4.408 25.157 ( 0.180 -2.549 2.970) 3.918 25.329 ( 0.081 1.172 0.130) 1.182 25.428 ( -3.791 -0.386 2.707) 4.674 25.568 ( -2.043 -0.178 -2.686) 3.379 25.586 ( 0.845 -0.056 1.407) 1.643 26.679 ( -2.696 2.664 -1.263) 3.995 26.858 ( -2.913 -0.961 0.670) 3.139 26.938 ( -0.303 -0.234 -2.049) 2.084 27.114 ( -4.392 -0.552 0.516) 4.457 27.707 ( 2.060 1.600 -5.847) 6.402 27.926 ( 1.894 -3.736 6.148) 7.439 28.695 ( 4.062 4.457 3.263) 6.857 29.028 ( 6.108 -2.554 -1.937) 6.898 29.880 ( 6.972 2.561 3.248) 8.106 30.021 ( 1.286 0.354 1.381) 1.920 30.207 ( 5.505 -3.217 -3.570) 7.308 30.278 ( 8.660 1.409 -1.466) 8.896 30.607 ( -8.377 -2.039 2.181) 8.893 30.741 ( -3.111 0.626 2.213) 3.868 30.939 ( -0.215 0.913 -1.827) 2.053 31.064 ( -0.817 -0.647 -2.148) 2.387 31.907 ( 4.020 0.273 -0.973) 4.145 32.137 ( -2.871 -0.318 0.631) 2.956 ======================= Grid point 10 (10/105) ======================= q-point: ( 0.18 -0.35 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( -27.275 -1.203 6.682) 28.107 4.216 ( 14.065 -1.273 10.750) 17.749 4.768 ( -21.178 7.676 -3.967) 22.873 4.912 ( -28.137 14.246 -13.914) 34.470 5.334 ( -5.735 -2.463 2.194) 6.616 5.510 ( -16.395 8.747 -15.207) 24.012 6.040 ( -28.034 -1.267 -5.816) 28.659 6.440 ( -35.817 15.163 -11.501) 40.559 7.849 ( -3.366 -0.553 3.255) 4.715 8.050 ( -20.437 5.472 -2.927) 21.358 8.279 ( 4.499 -2.915 1.135) 5.480 8.910 ( -83.302 13.741 -38.556) 92.814 9.478 ( 9.227 -7.385 6.046) 13.275 9.943 ( 16.955 7.261 -7.444) 19.890 10.140 ( 16.454 4.499 -6.308) 18.187 10.642 ( 15.195 23.065 1.911) 27.687 10.759 ( -14.963 -21.831 10.118) 28.334 11.144 ( 14.861 -2.680 -1.439) 15.169 11.853 ( -4.298 15.227 18.542) 24.375 12.851 ( 1.734 -14.928 6.370) 16.322 13.236 ( 16.530 -16.946 20.334) 31.207 13.531 ( -3.015 -11.945 12.194) 17.334 13.590 ( -1.218 -2.877 6.862) 7.539 13.677 ( -1.569 5.636 -5.283) 7.883 14.631 ( 2.973 2.711 -17.923) 18.369 15.226 ( -0.950 -5.104 -22.014) 22.618 15.810 ( -7.466 0.058 12.829) 14.844 15.993 ( -9.854 9.112 10.357) 16.953 16.460 ( 10.609 0.596 6.332) 12.370 16.803 ( -0.518 -2.130 -8.049) 8.342 17.187 ( 3.459 2.633 2.251) 4.895 17.289 ( 4.742 -7.465 4.856) 10.089 17.400 ( -10.430 19.927 11.179) 25.117 17.481 ( 2.828 4.992 -4.172) 7.094 17.802 ( 3.189 -0.124 3.519) 4.750 17.935 ( -5.370 10.188 -8.911) 14.562 18.015 ( -0.907 -4.608 7.698) 9.018 18.449 ( -21.258 -9.007 -10.426) 25.332 18.495 ( -13.273 0.124 7.412) 15.203 18.697 ( -11.459 -0.518 -6.431) 13.151 18.881 ( 11.295 -5.869 1.930) 12.874 18.906 ( 8.662 -7.973 0.298) 11.777 19.132 ( -10.158 -2.345 -1.062) 10.479 19.386 ( 12.144 -0.306 -11.014) 16.398 19.777 ( -11.090 -6.398 9.523) 15.956 20.018 ( -3.364 -9.879 -11.124) 15.253 20.196 ( 4.324 -4.363 13.778) 15.085 20.286 ( 11.234 6.180 -0.346) 12.826 20.390 ( 3.277 0.669 -2.973) 4.475 20.644 ( 15.120 5.754 9.436) 18.728 20.784 ( 0.838 0.239 -6.550) 6.608 21.048 ( 19.106 10.954 -5.325) 22.658 21.473 ( 4.657 -10.747 -3.070) 12.108 21.591 ( -1.752 -5.791 -3.822) 7.156 21.806 ( -1.111 -2.544 -8.839) 9.264 21.953 ( -3.526 4.261 -0.027) 5.531 22.068 ( 6.107 2.100 0.980) 6.532 22.241 ( -2.088 0.270 -0.737) 2.230 22.311 ( 1.366 -1.374 3.916) 4.370 22.462 ( -3.886 0.392 1.887) 4.337 22.694 ( -4.291 -3.871 1.082) 5.879 22.724 ( -5.496 -0.362 -0.165) 5.511 23.239 ( -1.877 0.563 1.863) 2.704 23.312 ( -4.983 2.968 2.709) 6.401 23.438 ( -0.220 1.003 -3.639) 3.781 23.668 ( 1.424 8.264 4.411) 9.475 23.924 ( 6.680 0.676 -5.852) 8.907 23.944 ( 1.000 0.120 2.129) 2.355 24.020 ( 10.500 0.311 2.719) 10.850 24.044 ( 8.019 3.911 -1.510) 9.048 24.426 ( 3.353 3.010 1.940) 4.905 24.509 ( 17.512 -0.632 4.950) 18.210 24.965 ( 0.016 -2.106 5.717) 6.092 25.069 ( -0.886 1.590 0.210) 1.832 25.176 ( 6.854 -6.132 -4.857) 10.401 25.334 ( 1.638 -1.384 -3.280) 3.919 25.435 ( -1.885 2.395 -4.067) 5.082 25.479 ( -0.714 0.862 -3.636) 3.804 26.699 ( 3.489 1.230 -0.006) 3.699 26.802 ( 2.653 -0.777 -1.125) 2.985 26.856 ( 2.725 0.998 -3.614) 4.635 26.909 ( 1.453 -0.765 -5.089) 5.347 27.982 ( 3.281 3.162 4.851) 6.655 28.069 ( -9.064 -6.878 6.534) 13.121 28.771 ( -10.286 6.484 4.387) 12.927 29.241 ( -4.875 -2.367 5.097) 7.440 29.690 ( -5.031 3.543 -2.648) 6.699 29.891 ( -1.173 0.692 -4.159) 4.376 30.262 ( -5.452 -1.276 0.461) 5.618 30.401 ( -3.974 -3.702 2.132) 5.834 30.457 ( 2.189 -0.425 -5.818) 6.231 30.592 ( 6.900 0.700 -0.019) 6.936 30.940 ( -2.190 0.619 -0.347) 2.302 31.274 ( 4.073 -1.476 3.630) 5.652 31.928 ( -3.859 -0.684 0.031) 3.919 32.129 ( 3.186 0.329 0.176) 3.208 ======================= Grid point 11 (11/105) ======================= q-point: ( 0.18 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -0.000 3.603 6.867) 7.755 2.453 ( 0.000 54.214 61.988) 82.351 2.483 ( 0.000 45.130 61.754) 76.488 3.598 ( 0.000 84.794 89.388) 123.208 3.683 ( 0.000 5.279 6.869) 8.663 5.061 ( -0.000 -0.163 1.638) 1.647 5.237 ( 0.000 -1.015 -3.621) 3.761 6.041 ( 0.000 10.058 6.616) 12.039 6.450 ( -0.000 -5.170 8.691) 10.113 7.790 ( 0.000 1.849 -1.210) 2.210 8.297 ( 0.000 0.430 -1.179) 1.255 8.391 ( -0.000 -29.656 29.624) 41.918 9.620 ( 0.000 6.966 -12.193) 14.042 10.054 ( 0.000 -12.418 -24.686) 27.634 10.513 ( 0.000 18.499 5.344) 19.256 10.580 ( -0.000 -3.295 3.104) 4.526 11.292 ( 0.000 41.331 -35.843) 54.708 11.875 ( -0.000 -5.267 -1.233) 5.410 11.989 ( -0.000 -1.690 1.207) 2.077 12.886 ( -0.000 -16.029 -0.701) 16.044 13.096 ( -0.000 -16.666 -9.405) 19.136 13.202 ( -0.000 -35.352 0.560) 35.356 13.880 ( 0.000 -0.810 -33.609) 33.619 14.225 ( 0.000 -10.112 -28.912) 30.629 14.711 ( 0.000 8.412 -2.742) 8.848 15.092 ( 0.000 7.024 -5.756) 9.081 15.748 ( -0.000 -14.113 -1.244) 14.168 16.118 ( -0.000 -1.317 -1.374) 1.904 16.654 ( -0.000 3.548 21.168) 21.463 16.781 ( 0.000 5.876 -7.069) 9.192 16.905 ( 0.000 1.844 -1.725) 2.525 17.236 ( 0.000 3.806 -0.807) 3.891 17.362 ( -0.000 2.022 6.118) 6.443 17.520 ( 0.000 15.817 11.747) 19.702 17.601 ( -0.000 5.834 21.638) 22.410 17.744 ( 0.000 8.176 -9.755) 12.728 17.992 ( -0.000 -7.958 5.813) 9.855 18.028 ( -0.000 -2.482 -2.450) 3.488 18.172 ( -0.000 2.616 4.863) 5.523 18.284 ( 0.000 8.899 0.637) 8.922 18.536 ( 0.000 -1.731 -9.312) 9.471 18.571 ( -0.000 -5.079 23.909) 24.443 18.683 ( 0.000 7.544 1.313) 7.657 19.216 ( 0.000 -1.675 -3.347) 3.742 19.794 ( 0.000 -1.548 -3.816) 4.119 20.056 ( 0.000 -3.900 -10.621) 11.315 20.179 ( 0.000 -5.665 -15.764) 16.751 20.643 ( 0.000 -0.311 -34.988) 34.989 20.658 ( 0.000 7.758 -9.274) 12.091 20.921 ( -0.000 0.130 13.176) 13.176 21.233 ( -0.000 -17.367 17.720) 24.811 21.491 ( 0.000 5.590 -1.085) 5.694 21.589 ( -0.000 1.601 7.013) 7.194 21.635 ( -0.000 1.503 6.838) 7.001 21.950 ( -0.000 -2.098 1.134) 2.385 22.087 ( -0.000 -9.622 -0.535) 9.636 22.126 ( -0.000 -5.783 -2.886) 6.463 22.360 ( -0.000 -2.535 26.154) 26.277 22.500 ( 0.000 -1.365 -2.628) 2.961 22.514 ( 0.000 -1.171 -9.602) 9.673 22.629 ( -0.000 -3.770 6.347) 7.382 22.750 ( -0.000 2.815 12.600) 12.911 23.099 ( -0.000 -7.846 2.774) 8.322 23.181 ( -0.000 -2.765 -0.499) 2.810 23.529 ( 0.000 5.436 4.008) 6.754 23.828 ( 0.000 9.383 -9.367) 13.258 23.914 ( 0.000 0.412 -0.517) 0.661 24.074 ( -0.000 -14.243 -7.024) 15.881 24.135 ( 0.000 -0.880 -2.272) 2.436 24.281 ( 0.000 14.094 2.812) 14.372 24.426 ( 0.000 4.868 -7.048) 8.566 24.924 ( -0.000 -3.683 -1.446) 3.957 25.147 ( 0.000 5.865 -0.734) 5.911 25.253 ( 0.000 -0.247 -4.140) 4.147 25.344 ( -0.000 0.742 9.491) 9.520 25.350 ( 0.000 2.103 0.877) 2.278 25.891 ( -0.000 -1.581 -0.253) 1.601 26.153 ( 0.000 5.765 -8.035) 9.889 26.615 ( -0.000 -1.001 -0.044) 1.002 26.710 ( -0.000 1.126 2.993) 3.198 26.898 ( -0.000 -0.400 2.078) 2.116 27.110 ( -0.000 -0.322 4.549) 4.560 27.523 ( -0.000 -1.379 0.845) 1.617 28.069 ( 0.000 1.671 -6.031) 6.258 28.295 ( -0.000 1.920 4.148) 4.571 29.080 ( 0.000 -1.609 -5.126) 5.372 29.448 ( 0.000 5.538 0.712) 5.583 29.863 ( -0.000 -4.724 0.772) 4.786 29.886 ( 0.000 2.235 1.849) 2.900 30.000 ( 0.000 1.743 -2.247) 2.844 30.523 ( -0.000 -1.077 6.761) 6.847 30.851 ( 0.000 1.777 1.695) 2.456 30.924 ( -0.000 -0.470 0.527) 0.706 31.383 ( 0.000 -1.229 -4.187) 4.364 31.789 ( -0.000 -2.038 -0.288) 2.058 32.226 ( 0.000 0.738 -0.349) 0.816 ======================= Grid point 12 (12/105) ======================= q-point: (-0.42 0.42 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.512 ( 27.000 2.991 0.000) 27.165 3.947 ( -24.272 -2.491 -0.000) 24.400 5.025 ( 13.377 7.836 0.000) 15.503 5.075 ( -9.714 -10.491 -0.000) 14.298 5.465 ( 6.555 -0.905 0.000) 6.617 5.576 ( -3.787 -1.684 -0.000) 4.145 7.105 ( 50.095 -14.652 0.000) 52.194 7.358 ( 30.986 -14.748 -0.000) 34.316 7.855 ( -1.851 7.797 0.000) 8.014 7.955 ( -18.020 6.707 -0.000) 19.227 8.564 ( 31.122 1.745 0.000) 31.171 9.032 ( -17.980 -3.832 -0.000) 18.384 9.537 ( -22.275 -3.530 -0.000) 22.553 9.604 ( -24.355 3.631 -0.000) 24.624 10.367 ( -1.232 -21.959 -0.000) 21.994 10.546 ( 9.701 23.354 0.000) 25.289 10.987 ( 47.192 -7.577 0.000) 47.796 11.678 ( 22.224 -35.178 -0.000) 41.610 11.794 ( -16.307 7.746 0.000) 18.053 12.689 ( -4.150 25.622 0.000) 25.956 13.161 ( -6.115 10.543 0.000) 12.188 13.178 ( -17.738 3.075 -0.000) 18.003 13.757 ( 8.235 0.564 0.000) 8.254 13.771 ( 1.161 -5.440 -0.000) 5.562 14.502 ( 3.884 -11.298 -0.000) 11.947 14.791 ( -4.478 4.983 0.000) 6.700 16.160 ( 9.903 6.871 0.000) 12.054 16.191 ( -6.143 0.554 -0.000) 6.168 16.645 ( -0.628 -0.076 -0.000) 0.633 16.710 ( 1.260 -9.119 -0.000) 9.206 17.028 ( -5.847 4.805 0.000) 7.568 17.219 ( -4.175 7.042 0.000) 8.186 17.424 ( 6.178 2.080 0.000) 6.519 17.522 ( -13.533 -3.257 -0.000) 13.920 17.827 ( 6.097 -1.976 0.000) 6.409 18.091 ( -18.407 -2.137 -0.000) 18.531 18.335 ( 9.877 3.348 0.000) 10.429 18.403 ( 17.878 -1.347 0.000) 17.929 18.483 ( 6.024 -2.115 0.000) 6.385 18.586 ( -16.506 -10.763 -0.000) 19.705 18.691 ( -0.230 6.489 0.000) 6.493 18.746 ( -3.197 1.551 0.000) 3.553 19.319 ( 12.341 -3.745 0.000) 12.897 19.499 ( 2.028 -13.174 -0.000) 13.329 19.531 ( -2.912 5.136 0.000) 5.904 19.943 ( 16.407 22.572 0.000) 27.905 20.073 ( -5.594 7.164 0.000) 9.089 20.166 ( -5.862 4.549 0.000) 7.420 20.417 ( -3.804 -13.063 -0.000) 13.606 20.532 ( -8.701 2.643 -0.000) 9.093 20.587 ( -14.085 -3.410 -0.000) 14.492 20.709 ( -0.753 18.080 0.000) 18.096 21.421 ( -1.147 -6.108 -0.000) 6.215 21.465 ( -0.235 -1.123 -0.000) 1.148 21.964 ( 9.576 -4.705 -0.000) 10.669 22.031 ( 0.735 -1.308 -0.000) 1.500 22.172 ( 4.875 -6.787 -0.000) 8.357 22.306 ( 0.115 -2.054 -0.000) 2.058 22.313 ( 0.378 1.287 0.000) 1.341 22.410 ( -2.588 6.273 0.000) 6.786 22.909 ( 14.852 0.134 0.000) 14.853 22.957 ( 10.262 -2.805 0.000) 10.638 23.252 ( 0.837 2.059 0.000) 2.222 23.418 ( -0.268 -1.937 -0.000) 1.955 23.455 ( -16.796 -1.074 -0.000) 16.830 23.487 ( -11.524 -1.587 -0.000) 11.632 23.752 ( -9.750 -2.663 -0.000) 10.107 23.753 ( 1.081 4.404 0.000) 4.535 24.030 ( -0.595 -9.273 -0.000) 9.292 24.091 ( 1.374 0.309 0.000) 1.408 24.380 ( 3.417 -1.593 -0.000) 3.770 24.693 ( -11.151 11.807 0.000) 16.240 24.718 ( 4.063 -8.609 -0.000) 9.520 24.940 ( -2.822 6.894 0.000) 7.449 25.120 ( 3.406 -0.897 0.000) 3.522 25.206 ( -4.290 0.569 -0.000) 4.328 25.469 ( 4.792 0.393 0.000) 4.808 25.502 ( -1.945 -2.592 -0.000) 3.240 26.673 ( -1.930 -1.323 -0.000) 2.340 26.696 ( -2.175 1.134 0.000) 2.453 26.805 ( -0.876 -2.042 -0.000) 2.222 26.840 ( -0.077 1.833 0.000) 1.834 28.060 ( -4.929 -7.255 -0.000) 8.771 28.118 ( 6.648 9.516 0.000) 11.609 29.153 ( 5.604 -7.947 -0.000) 9.725 29.308 ( 2.340 5.038 0.000) 5.555 29.799 ( 0.454 -3.485 -0.000) 3.515 29.836 ( 0.590 1.203 0.000) 1.340 30.306 ( 1.697 1.704 0.000) 2.405 30.307 ( -1.559 -0.683 -0.000) 1.702 30.451 ( 4.997 3.399 0.000) 6.044 30.503 ( -5.916 -2.022 -0.000) 6.252 31.033 ( 4.952 -1.588 0.000) 5.200 31.175 ( -5.501 2.350 -0.000) 5.982 31.995 ( 4.603 0.747 0.000) 4.663 32.068 ( -4.307 -0.601 -0.000) 4.348 ======================= Grid point 13 (13/105) ======================= q-point: ( 0.58 -0.24 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -26.591 0.739 0.313) 26.603 3.703 ( -14.623 -3.402 -7.242) 16.669 4.914 ( 4.884 -0.470 3.667) 6.125 5.100 ( -3.315 -1.943 1.050) 3.984 5.623 ( -6.162 19.274 10.670) 22.876 5.794 ( -2.452 -6.960 -2.788) 7.888 6.738 ( -14.353 32.815 31.617) 47.775 7.207 ( -8.122 17.544 13.879) 23.799 7.926 ( 0.320 7.831 5.041) 9.319 8.238 ( -7.092 -5.327 -23.535) 25.150 8.247 ( -1.419 -0.785 6.358) 6.561 8.363 ( -26.979 -2.213 -13.383) 30.197 8.946 ( -12.411 -11.829 -24.373) 29.799 9.728 ( -26.776 20.006 34.071) 47.728 10.483 ( 0.618 -13.323 9.441) 16.341 10.916 ( 14.710 -8.138 -0.086) 16.811 11.097 ( 9.918 -3.478 -10.196) 14.643 11.629 ( 8.666 14.700 3.772) 17.476 11.689 ( -4.776 -6.512 -16.388) 18.270 12.381 ( -7.367 -10.950 -5.757) 14.399 12.700 ( -1.413 5.677 4.919) 7.644 12.808 ( -0.889 4.309 -20.707) 21.169 13.185 ( -24.900 4.227 -9.938) 27.141 13.243 ( -8.580 7.042 -20.075) 22.939 14.968 ( -6.757 3.079 0.385) 7.436 15.358 ( -3.691 0.139 3.681) 5.215 15.681 ( -4.315 -2.327 1.258) 5.061 15.813 ( 7.979 -2.145 1.590) 8.414 16.544 ( 14.670 -2.903 0.048) 14.955 16.671 ( 1.425 -0.728 -4.493) 4.770 17.076 ( 7.444 2.828 -6.152) 10.063 17.129 ( 2.082 -1.113 -1.806) 2.972 17.562 ( 1.347 -0.426 1.152) 1.823 17.654 ( -4.510 -11.377 5.686) 13.495 17.698 ( 0.165 -2.890 6.521) 7.135 17.847 ( 4.789 -4.437 -2.824) 7.113 18.111 ( -5.201 -3.150 2.643) 6.630 18.188 ( -2.734 3.081 8.052) 9.045 18.385 ( -1.663 4.868 6.233) 8.081 18.644 ( -5.556 -9.979 -0.837) 11.452 18.815 ( 3.319 -7.405 4.926) 9.493 18.961 ( -10.104 13.798 -3.655) 17.489 19.223 ( -5.783 -13.501 -0.575) 14.699 19.338 ( -4.952 -5.214 8.201) 10.907 19.396 ( 3.942 -3.839 1.362) 5.668 19.811 ( -9.074 -3.115 12.299) 15.599 19.944 ( -1.097 -0.974 -1.322) 1.975 20.389 ( 10.389 -4.904 -11.484) 16.244 20.497 ( -10.420 16.722 5.801) 20.539 20.801 ( 1.082 2.616 -4.907) 5.665 21.196 ( 3.657 1.384 -3.569) 5.294 21.236 ( 14.767 4.139 4.218) 15.906 21.565 ( 1.916 -4.131 -0.118) 4.555 21.689 ( 2.974 -0.750 8.007) 8.575 21.822 ( -1.344 -7.667 3.216) 8.422 22.025 ( 2.204 7.161 4.992) 9.003 22.139 ( 0.342 1.125 -1.549) 1.944 22.201 ( 2.384 -0.492 9.581) 9.886 22.281 ( 3.730 1.465 -8.117) 9.052 22.420 ( -3.161 3.296 -0.101) 4.568 22.519 ( 5.139 0.094 -1.136) 5.264 22.669 ( 2.065 -1.952 3.125) 4.224 23.184 ( -1.555 -0.047 -5.241) 5.467 23.326 ( 1.437 -0.645 -1.190) 1.974 23.509 ( -1.199 2.159 -4.956) 5.537 23.769 ( -0.890 -2.798 0.466) 2.973 23.982 ( 1.871 -0.747 1.712) 2.644 24.026 ( -0.013 0.568 1.073) 1.214 24.104 ( -5.224 3.540 1.540) 6.496 24.423 ( 1.850 -0.175 -7.210) 7.445 24.595 ( 14.377 1.674 -4.792) 15.246 24.722 ( 13.071 1.030 -5.805) 14.339 24.813 ( 11.584 -2.217 -2.072) 11.975 25.140 ( 0.161 1.126 4.315) 4.463 25.301 ( 6.405 -0.070 -0.107) 6.406 25.501 ( 0.971 0.709 -2.085) 2.407 25.548 ( 2.154 0.880 5.055) 5.565 25.649 ( 12.936 3.127 1.785) 13.427 26.740 ( -0.952 -2.808 0.922) 3.105 26.857 ( 2.369 2.597 0.406) 3.539 26.929 ( 1.197 -0.047 1.997) 2.329 27.128 ( 3.309 -0.226 4.831) 5.860 27.599 ( -5.650 -4.538 1.977) 7.512 28.037 ( 0.378 5.426 -11.343) 12.580 28.726 ( -9.161 3.589 -2.620) 10.181 28.904 ( -3.978 -3.391 -5.019) 7.247 29.789 ( -6.434 -1.219 1.805) 6.793 29.972 ( -7.283 2.547 2.008) 7.972 30.023 ( -2.361 0.953 -1.569) 2.991 30.144 ( -6.054 -1.064 -1.075) 6.240 30.654 ( 1.669 0.251 8.172) 8.344 30.790 ( 7.345 1.752 0.685) 7.582 30.935 ( -0.637 -0.037 0.506) 0.814 31.142 ( 1.824 -2.634 -5.016) 5.952 31.813 ( -4.506 -1.161 1.071) 4.775 32.196 ( 2.467 0.629 -0.851) 2.684 ======================= Grid point 14 (14/105) ======================= q-point: (-0.42 0.09 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 21.408 -1.348 -2.920) 21.648 3.437 ( 16.738 0.976 5.528) 17.655 4.664 ( 19.799 -37.091 -31.798) 52.715 5.011 ( -2.599 -2.918 -5.719) 6.927 5.102 ( 1.409 -2.019 -2.838) 3.757 5.450 ( 20.507 -32.443 -50.925) 63.768 6.100 ( -2.584 -0.062 4.504) 5.192 6.798 ( -0.113 -24.937 -21.239) 32.756 7.286 ( 34.323 -35.382 -58.639) 76.606 7.837 ( 1.946 -1.002 -5.225) 5.665 8.322 ( 3.294 -0.984 -0.386) 3.459 8.378 ( -4.190 9.867 -13.416) 17.173 8.995 ( 10.293 24.232 37.223) 45.592 9.269 ( 2.691 1.856 22.165) 22.405 10.502 ( 4.070 1.878 1.468) 4.717 11.128 ( -3.995 -16.375 -9.929) 19.562 11.356 ( -10.930 -16.795 12.206) 23.463 11.638 ( -10.453 3.549 12.037) 16.333 11.848 ( -5.242 8.532 2.623) 10.352 12.433 ( 12.111 15.831 19.109) 27.613 12.530 ( 19.170 10.710 15.784) 27.043 12.674 ( -5.244 6.024 -3.927) 8.900 13.121 ( -1.521 3.615 27.645) 27.921 13.302 ( 2.095 27.003 12.746) 29.934 14.798 ( 5.351 -2.085 1.033) 5.834 15.193 ( 1.494 -11.389 1.390) 11.571 15.664 ( 2.683 5.372 -4.764) 7.665 16.059 ( -9.292 2.088 -1.995) 9.731 16.699 ( -4.929 -3.645 4.424) 7.560 16.914 ( -12.310 5.236 -0.009) 13.377 16.986 ( 5.452 -2.012 -4.161) 7.148 17.328 ( -7.586 -4.646 2.363) 9.204 17.398 ( 7.397 -0.163 -1.768) 7.607 17.664 ( -0.258 -9.469 1.362) 9.570 17.831 ( -7.484 4.184 -4.201) 9.548 17.943 ( -5.990 -3.924 -4.047) 8.225 18.034 ( 9.669 7.931 -10.435) 16.288 18.190 ( -3.446 -4.045 -1.799) 5.610 18.272 ( 7.863 1.124 -10.088) 12.840 18.538 ( 7.899 1.110 -4.816) 9.318 18.713 ( -2.514 -13.530 -6.072) 15.041 18.933 ( 9.479 -7.014 -6.114) 13.283 19.009 ( -5.653 4.211 3.578) 7.905 19.369 ( 16.196 -1.896 -9.840) 19.045 19.446 ( -1.631 3.814 7.609) 8.667 19.669 ( 14.143 -7.720 16.836) 23.304 19.955 ( 3.624 9.244 9.702) 13.882 20.192 ( -2.645 3.118 -0.398) 4.108 20.600 ( 2.095 -11.609 12.437) 17.142 20.844 ( -9.552 18.394 4.412) 21.191 21.254 ( 0.579 3.050 -10.482) 10.932 21.511 ( -0.678 -2.760 2.901) 4.061 21.584 ( 1.426 -1.532 0.470) 2.145 21.748 ( -7.367 10.972 -7.058) 14.983 21.932 ( 3.433 8.862 -2.560) 9.843 21.997 ( -2.121 -1.792 -12.394) 12.702 22.111 ( -0.004 -2.749 0.635) 2.821 22.247 ( 0.303 -0.250 9.346) 9.354 22.433 ( -3.171 0.487 -0.749) 3.295 22.580 ( -18.632 5.476 -6.784) 20.571 22.637 ( -6.671 4.621 -10.750) 13.469 22.787 ( -7.028 2.725 -3.074) 8.140 23.164 ( 1.638 1.179 -0.007) 2.019 23.289 ( 2.125 -7.261 -0.810) 7.609 23.446 ( -5.703 -2.818 7.481) 9.820 23.790 ( -0.237 -2.227 3.088) 3.814 23.853 ( 5.234 -2.297 -6.321) 8.522 24.002 ( 5.805 2.177 -1.464) 6.370 24.088 ( -0.053 2.275 0.901) 2.447 24.359 ( 3.846 -3.577 11.288) 12.450 24.611 ( -1.024 -11.547 -1.562) 11.697 24.857 ( -6.330 1.833 -1.078) 6.677 25.066 ( -4.101 4.574 5.192) 8.044 25.153 ( -0.912 -0.656 -2.779) 2.997 25.440 ( -5.106 -3.168 1.080) 6.105 25.507 ( -2.012 0.261 3.884) 4.382 25.651 ( -9.606 0.307 -5.209) 10.932 25.894 ( -18.103 -4.203 2.236) 18.718 26.685 ( 6.559 0.399 0.088) 6.571 26.836 ( 1.640 -1.238 -1.274) 2.417 26.921 ( -0.232 -0.705 -1.645) 1.804 27.186 ( -0.667 0.776 -3.193) 3.353 27.595 ( 3.934 4.249 -5.231) 7.804 27.945 ( -0.081 -4.191 11.092) 11.858 28.501 ( 5.091 -3.356 -4.393) 7.516 28.917 ( 1.871 2.742 7.290) 8.011 29.633 ( 4.981 -5.649 -0.879) 7.582 29.840 ( 6.722 4.059 -0.191) 7.854 29.964 ( 0.497 -1.953 -0.810) 2.172 30.058 ( 4.897 0.614 1.048) 5.046 30.674 ( -0.428 0.041 -8.135) 8.147 30.879 ( -4.623 -1.273 -1.873) 5.148 30.929 ( 0.096 0.179 -0.741) 0.768 31.220 ( -1.205 2.006 6.735) 7.130 31.770 ( 2.712 1.622 -0.113) 3.162 32.219 ( -1.278 -0.620 0.484) 1.501 ======================= Grid point 15 (15/105) ======================= q-point: (-0.03 -0.47 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.261 ( -20.526 0.000 -1.551) 20.585 3.646 ( 14.925 -0.000 2.360) 15.110 5.088 ( -8.750 0.000 1.918) 8.957 5.316 ( -6.162 0.000 3.812) 7.246 5.421 ( 4.228 0.000 -4.501) 6.176 5.718 ( 7.444 -0.000 -2.584) 7.880 7.289 ( -12.452 0.000 -8.996) 15.361 7.656 ( -15.539 0.000 -7.992) 17.474 7.874 ( 1.293 0.000 -8.251) 8.352 8.185 ( 0.531 0.000 -2.659) 2.711 8.230 ( -1.175 0.000 -1.896) 2.231 9.401 ( 5.738 -0.000 3.428) 6.684 9.510 ( -6.293 -0.000 8.641) 10.690 9.993 ( 9.698 -0.000 -7.332) 12.158 10.022 ( -4.800 -0.000 14.145) 14.937 10.301 ( 1.030 -0.000 13.100) 13.140 11.297 ( 6.124 0.000 -13.902) 15.191 11.497 ( -7.740 0.000 -3.925) 8.678 11.913 ( 3.733 0.000 -20.595) 20.931 12.471 ( -13.364 0.000 9.663) 16.492 12.723 ( -13.494 0.000 -0.234) 13.496 13.168 ( 1.852 0.000 -2.186) 2.865 13.213 ( 9.634 -0.000 5.941) 11.319 14.085 ( -1.642 0.000 -2.477) 2.972 15.427 ( -2.687 0.000 -13.021) 13.296 15.483 ( -9.003 -0.000 13.032) 15.839 15.548 ( 0.422 -0.000 2.238) 2.278 15.963 ( 11.101 -0.000 -0.761) 11.127 16.313 ( -19.849 0.000 -7.553) 21.237 16.770 ( 11.562 -0.000 10.426) 15.569 17.044 ( -0.714 0.000 0.424) 0.830 17.129 ( -0.157 0.000 -0.171) 0.232 17.275 ( -3.228 0.000 -0.878) 3.346 17.396 ( 7.118 -0.000 -2.142) 7.433 17.407 ( -2.886 -0.000 3.608) 4.621 17.785 ( -15.599 0.000 -6.176) 16.778 18.211 ( 9.067 -0.000 12.574) 15.503 18.247 ( 16.948 -0.000 6.055) 17.997 18.389 ( -0.170 0.000 -3.081) 3.085 18.615 ( -2.007 -0.000 5.259) 5.628 18.767 ( -11.954 0.000 11.475) 16.571 18.999 ( -2.508 0.000 2.228) 3.355 19.466 ( -1.923 0.000 -5.175) 5.521 19.622 ( 11.595 -0.000 3.931) 12.243 19.788 ( -23.972 0.000 -4.687) 24.426 19.958 ( 4.757 -0.000 0.722) 4.812 20.191 ( -25.463 0.000 -10.275) 27.458 20.225 ( 5.964 -0.000 10.123) 11.749 20.540 ( 24.233 -0.000 -10.106) 26.256 20.728 ( 20.978 -0.000 -7.753) 22.365 21.006 ( -2.217 0.000 -2.959) 3.698 21.106 ( -6.859 0.000 -4.239) 8.063 21.131 ( 13.538 -0.000 9.847) 16.741 21.280 ( 0.893 -0.000 0.485) 1.016 21.661 ( 2.059 -0.000 1.166) 2.367 21.976 ( 1.335 -0.000 -0.223) 1.354 22.183 ( -1.351 0.000 -2.642) 2.968 22.254 ( 1.274 -0.000 3.373) 3.605 22.481 ( -12.696 0.000 0.241) 12.698 22.618 ( -3.984 0.000 0.145) 3.987 22.777 ( -0.714 0.000 0.565) 0.910 22.917 ( 1.333 -0.000 3.543) 3.786 23.091 ( 0.403 0.000 -1.840) 1.884 23.234 ( -4.729 0.000 1.781) 5.053 23.468 ( -12.605 0.000 0.207) 12.606 23.584 ( 18.409 -0.000 -4.463) 18.942 23.797 ( 0.197 0.000 -0.879) 0.900 23.859 ( 20.054 -0.000 -1.318) 20.097 23.876 ( -9.189 0.000 -5.599) 10.761 24.093 ( -0.493 0.000 -0.580) 0.761 24.118 ( 9.485 -0.000 5.231) 10.831 24.251 ( 1.022 -0.000 -0.654) 1.213 24.874 ( -5.502 0.000 2.233) 5.938 25.206 ( -0.620 0.000 -1.548) 1.668 25.248 ( 5.051 -0.000 -1.732) 5.339 25.386 ( 0.717 -0.000 0.156) 0.734 25.560 ( -0.416 -0.000 1.329) 1.393 25.605 ( -0.777 0.000 -0.685) 1.036 26.607 ( 1.395 -0.000 0.549) 1.499 26.817 ( 1.457 -0.000 -0.146) 1.465 26.940 ( -0.157 -0.000 1.995) 2.001 27.050 ( 2.488 -0.000 -1.154) 2.743 27.721 ( -0.840 -0.000 1.969) 2.140 27.997 ( -0.856 0.000 -2.042) 2.214 28.695 ( -1.504 0.000 -1.086) 1.855 29.144 ( -2.564 0.000 0.421) 2.598 29.961 ( -3.689 0.000 -2.708) 4.576 30.024 ( 0.478 -0.000 0.525) 0.710 30.342 ( -5.714 0.000 4.318) 7.162 30.389 ( -4.325 0.000 0.792) 4.397 30.471 ( 7.754 -0.000 -3.302) 8.428 30.697 ( 1.393 0.000 -1.653) 2.162 30.916 ( 0.571 -0.000 1.547) 1.649 31.066 ( 0.063 -0.000 0.553) 0.557 31.968 ( -2.425 0.000 0.544) 2.485 32.090 ( 2.056 -0.000 -0.425) 2.099 ======================= Grid point 16 (16/105) ======================= q-point: (-0.03 -0.14 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -31.052 0.000 6.756) 31.779 2.389 ( -55.616 0.000 -61.582) 82.978 2.512 ( -56.994 0.000 -53.023) 77.844 3.808 ( -78.708 0.000 -57.247) 97.325 4.278 ( -58.627 0.000 -2.555) 58.683 5.007 ( 4.354 -0.000 -2.023) 4.801 5.245 ( -0.795 -0.000 4.583) 4.651 5.890 ( 0.864 0.000 -9.171) 9.211 6.414 ( 7.660 0.000 -13.367) 15.406 7.781 ( -1.007 0.000 0.865) 1.328 8.319 ( -2.217 0.000 0.657) 2.312 8.592 ( 32.763 -0.000 -29.208) 43.892 9.611 ( -5.588 -0.000 6.908) 8.885 10.171 ( 8.753 -0.000 1.325) 8.853 10.288 ( -1.797 0.000 -7.717) 7.923 10.331 ( -7.664 -0.000 16.673) 18.350 10.714 ( -5.742 0.000 -3.240) 6.593 11.849 ( 8.659 -0.000 10.411) 13.542 11.983 ( 11.207 -0.000 6.516) 12.964 13.166 ( -10.348 0.000 1.696) 10.486 13.330 ( -7.433 -0.000 8.903) 11.598 13.380 ( 17.856 -0.000 3.623) 18.220 13.929 ( 2.962 -0.000 24.981) 25.156 14.245 ( 7.590 -0.000 20.856) 22.195 14.598 ( -1.819 0.000 -2.627) 3.195 14.997 ( -1.571 -0.000 3.871) 4.178 15.841 ( 8.680 -0.000 1.969) 8.900 16.065 ( 7.007 -0.000 -0.891) 7.064 16.639 ( -2.607 0.000 -17.134) 17.331 16.752 ( 0.491 -0.000 4.570) 4.596 16.837 ( 1.573 -0.000 2.360) 2.836 17.189 ( -11.402 0.000 -5.923) 12.849 17.325 ( -11.491 0.000 1.226) 11.556 17.474 ( 6.717 0.000 -18.267) 19.463 17.624 ( -5.196 0.000 2.172) 5.632 17.654 ( 2.155 -0.000 8.606) 8.872 18.004 ( 1.561 0.000 -6.102) 6.298 18.147 ( 0.776 -0.000 3.988) 4.063 18.183 ( -19.233 0.000 -8.709) 21.113 18.203 ( -4.732 0.000 -4.077) 6.246 18.559 ( 0.008 -0.000 8.988) 8.988 18.710 ( -9.128 0.000 -7.564) 11.855 18.993 ( -28.374 0.000 -13.020) 31.218 19.191 ( 4.096 -0.000 1.382) 4.323 19.868 ( -4.093 0.000 1.890) 4.508 19.951 ( 10.205 -0.000 16.801) 19.658 20.243 ( 0.021 -0.000 21.291) 21.291 20.529 ( 4.548 -0.000 9.437) 10.476 20.654 ( 0.820 -0.000 19.801) 19.818 20.915 ( 1.911 0.000 -9.317) 9.511 21.347 ( 6.922 -0.000 -3.098) 7.583 21.430 ( 9.315 0.000 -25.736) 27.370 21.560 ( 2.049 0.000 -17.186) 17.308 21.566 ( 0.368 -0.000 5.811) 5.823 21.925 ( 1.959 0.000 -6.364) 6.659 22.122 ( 0.347 -0.000 2.527) 2.551 22.215 ( -2.952 0.000 2.102) 3.624 22.350 ( 4.434 0.000 -16.883) 17.456 22.420 ( 7.280 -0.000 3.446) 8.055 22.473 ( 5.117 -0.000 5.752) 7.698 22.698 ( -0.138 0.000 -5.947) 5.948 22.763 ( -5.277 0.000 -6.531) 8.396 23.211 ( -0.372 -0.000 1.058) 1.122 23.262 ( 8.518 -0.000 3.079) 9.057 23.522 ( -2.644 -0.000 6.036) 6.589 23.625 ( 2.845 -0.000 4.326) 5.178 23.728 ( 5.641 -0.000 -0.607) 5.674 24.078 ( 0.580 -0.000 0.612) 0.843 24.133 ( 1.198 0.000 -5.697) 5.822 24.182 ( 8.227 -0.000 -0.752) 8.262 24.438 ( -4.691 -0.000 5.590) 7.298 24.950 ( 2.782 -0.000 4.849) 5.590 25.100 ( -4.657 0.000 3.477) 5.812 25.311 ( -0.152 -0.000 1.739) 1.746 25.342 ( 1.452 -0.000 -1.420) 2.031 25.367 ( -6.744 0.000 -6.391) 9.291 25.693 ( 18.449 -0.000 -5.272) 19.187 25.793 ( 26.505 -0.000 6.292) 27.241 26.717 ( -5.644 0.000 -0.075) 5.645 26.742 ( -4.264 0.000 -2.441) 4.914 26.865 ( 3.623 -0.000 -3.195) 4.830 27.092 ( 2.704 0.000 -5.554) 6.177 27.662 ( -12.831 0.000 1.384) 12.906 28.038 ( 1.625 -0.000 5.404) 5.643 28.336 ( -6.429 0.000 -2.678) 6.964 29.113 ( -1.906 -0.000 5.165) 5.506 29.437 ( -4.182 0.000 -1.666) 4.502 29.847 ( -0.210 0.000 -1.425) 1.440 30.022 ( -5.539 0.000 3.508) 6.557 30.214 ( -14.373 0.000 11.423) 18.360 30.524 ( 1.014 0.000 -6.395) 6.474 30.802 ( 3.299 -0.000 -1.811) 3.764 30.922 ( 0.556 0.000 -0.708) 0.900 31.384 ( 1.113 -0.000 4.225) 4.369 31.827 ( -1.718 0.000 0.444) 1.774 32.207 ( 1.132 -0.000 0.230) 1.155 ======================= Grid point 17 (17/105) ======================= q-point: (-0.03 0.19 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 27.126 -0.000 -8.618) 28.462 3.603 ( 66.866 -0.000 36.525) 76.192 3.747 ( 63.439 -0.000 19.078) 66.246 4.475 ( 1.426 0.000 -11.984) 12.068 5.059 ( 18.829 -0.000 3.993) 19.247 5.277 ( 2.822 0.000 -3.748) 4.692 5.813 ( 45.936 -0.000 22.983) 51.365 5.889 ( 1.934 -0.000 8.244) 8.468 6.566 ( 59.010 -0.000 40.330) 71.476 7.809 ( 2.084 -0.000 -2.072) 2.939 8.281 ( -2.098 -0.000 20.817) 20.923 8.348 ( 0.145 0.000 -0.409) 0.434 9.741 ( 6.518 0.000 -8.596) 10.788 9.950 ( -13.733 0.000 0.051) 13.733 10.231 ( -8.126 -0.000 12.454) 14.871 10.498 ( 6.861 -0.000 -0.982) 6.931 10.906 ( 12.746 -0.000 -2.996) 13.093 11.598 ( -24.651 0.000 0.945) 24.669 11.621 ( -12.867 0.000 -31.573) 34.094 13.135 ( -7.212 0.000 -0.438) 7.226 13.419 ( 13.875 -0.000 -2.753) 14.145 13.516 ( 11.494 -0.000 -4.489) 12.339 13.719 ( -16.628 0.000 -23.778) 29.015 13.971 ( -20.787 0.000 -12.095) 24.050 14.644 ( 0.894 -0.000 10.247) 10.286 15.111 ( 10.128 -0.000 4.139) 10.941 15.743 ( 0.163 0.000 -9.153) 9.154 15.900 ( -8.462 0.000 4.351) 9.515 16.643 ( -6.207 0.000 -2.949) 6.872 16.735 ( 3.084 -0.000 15.348) 15.655 16.882 ( 6.167 -0.000 -6.174) 8.726 17.328 ( -6.193 -0.000 8.067) 10.170 17.420 ( 8.641 -0.000 5.683) 10.343 17.540 ( -7.155 0.000 -9.687) 12.042 17.624 ( 2.135 0.000 -5.800) 6.181 17.731 ( 21.726 -0.000 -8.641) 23.381 18.032 ( 2.529 -0.000 -0.674) 2.617 18.250 ( 2.595 -0.000 -2.600) 3.674 18.256 ( 12.152 -0.000 3.774) 12.724 18.505 ( 4.623 -0.000 4.247) 6.278 18.803 ( 29.108 -0.000 12.952) 31.860 18.886 ( 9.104 -0.000 3.064) 9.605 19.074 ( -6.651 0.000 2.109) 6.977 19.528 ( 20.257 -0.000 0.900) 20.277 19.754 ( -8.033 0.000 -20.915) 22.405 19.908 ( 0.847 -0.000 0.578) 1.025 20.259 ( 2.580 0.000 -12.493) 12.756 20.401 ( -9.073 0.000 -9.263) 12.966 20.615 ( -4.136 0.000 -1.385) 4.362 20.742 ( -15.867 0.000 -1.486) 15.936 21.129 ( -19.012 0.000 16.333) 25.065 21.200 ( -10.393 0.000 9.194) 13.876 21.553 ( 0.173 -0.000 5.233) 5.236 21.585 ( 4.090 -0.000 22.374) 22.745 21.883 ( -2.000 0.000 -1.418) 2.452 22.137 ( -13.648 0.000 -2.260) 13.834 22.184 ( 0.550 -0.000 2.319) 2.383 22.222 ( -5.609 0.000 -4.577) 7.239 22.350 ( 3.141 -0.000 -0.935) 3.277 22.369 ( -4.420 0.000 -4.765) 6.499 22.686 ( -0.878 -0.000 4.584) 4.668 22.781 ( -3.614 0.000 1.342) 3.856 23.181 ( 2.431 0.000 -4.674) 5.268 23.219 ( 0.577 0.000 -1.517) 1.623 23.436 ( -4.265 0.000 2.631) 5.012 23.563 ( 1.299 0.000 -9.267) 9.357 23.846 ( 6.471 -0.000 -2.811) 7.056 24.020 ( -5.448 0.000 3.705) 6.589 24.081 ( -1.819 -0.000 2.071) 2.756 24.143 ( -0.150 -0.000 7.115) 7.117 24.452 ( -3.173 0.000 -1.684) 3.593 24.913 ( -5.206 0.000 -10.970) 12.142 25.106 ( -4.744 0.000 -4.181) 6.324 25.117 ( -24.240 0.000 -5.231) 24.798 25.322 ( -0.261 -0.000 2.090) 2.106 25.377 ( -6.069 0.000 5.220) 8.005 25.420 ( -6.441 -0.000 6.919) 9.453 25.462 ( 1.566 -0.000 4.016) 4.310 26.749 ( -2.310 0.000 -0.213) 2.320 26.830 ( 4.092 -0.000 2.334) 4.711 26.830 ( -0.450 -0.000 2.528) 2.568 27.003 ( -5.972 -0.000 6.407) 8.758 27.923 ( 13.274 -0.000 -5.341) 14.308 28.004 ( -2.168 0.000 -5.049) 5.495 28.502 ( 10.316 -0.000 -0.730) 10.342 29.172 ( 4.226 0.000 -5.037) 6.575 29.538 ( 6.061 -0.000 2.557) 6.579 29.860 ( 1.018 -0.000 2.225) 2.447 30.153 ( 7.378 -0.000 -2.699) 7.856 30.380 ( 4.870 0.000 -7.416) 8.872 30.496 ( -1.925 -0.000 6.899) 7.162 30.711 ( -5.983 0.000 1.257) 6.114 30.914 ( 0.017 -0.000 0.831) 0.832 31.351 ( -2.470 0.000 -4.080) 4.770 31.872 ( 2.943 -0.000 -0.179) 2.948 32.176 ( -2.151 0.000 -0.244) 2.165 ======================= Grid point 18 (18/105) ======================= q-point: ( 0.37 -0.37 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( -28.830 -3.508 -0.000) 29.042 4.375 ( 20.456 1.986 0.000) 20.552 4.694 ( -21.305 -10.011 -0.000) 23.540 5.146 ( -6.412 16.453 0.000) 17.658 5.313 ( -10.729 1.459 -0.000) 10.827 5.658 ( 0.316 18.010 0.000) 18.012 6.118 ( -47.485 17.836 -0.000) 50.725 6.573 ( -41.376 16.348 -0.000) 44.488 7.854 ( -1.294 -2.086 -0.000) 2.455 8.091 ( -4.050 -0.041 -0.000) 4.050 8.289 ( 1.150 -1.142 -0.000) 1.621 8.975 ( -73.219 36.866 0.000) 81.976 9.506 ( -4.212 2.579 0.000) 4.939 10.004 ( 19.011 -0.329 0.000) 19.014 10.057 ( 17.428 -1.465 0.000) 17.489 10.477 ( 6.774 -16.743 -0.000) 18.061 11.021 ( 18.430 -2.260 0.000) 18.568 11.419 ( -3.491 39.996 0.000) 40.148 11.905 ( -2.723 -10.397 -0.000) 10.748 12.729 ( 1.111 -25.301 -0.000) 25.326 13.278 ( -0.579 -24.252 -0.000) 24.259 13.326 ( -7.761 7.428 0.000) 10.743 13.675 ( 5.000 -4.024 -0.000) 6.418 13.717 ( 1.846 12.151 0.000) 12.291 14.541 ( 7.240 11.149 0.000) 13.294 14.873 ( 4.846 -4.479 -0.000) 6.599 15.984 ( -6.868 -0.620 -0.000) 6.896 16.165 ( -10.151 -3.737 -0.000) 10.817 16.639 ( -2.303 -3.852 -0.000) 4.488 16.706 ( 3.685 10.743 0.000) 11.358 17.203 ( 7.150 -5.231 -0.000) 8.859 17.276 ( 0.758 -3.138 -0.000) 3.229 17.366 ( 2.075 -0.662 0.000) 2.178 17.712 ( 5.452 -3.949 -0.000) 6.732 17.817 ( 4.346 -1.035 0.000) 4.467 17.963 ( -19.724 -0.991 -0.000) 19.749 18.060 ( -15.811 -10.717 -0.000) 19.100 18.326 ( -2.551 23.298 0.000) 23.437 18.550 ( 7.356 -11.861 -0.000) 13.957 18.553 ( -8.599 -4.288 -0.000) 9.609 18.814 ( -3.317 5.312 0.000) 6.262 18.936 ( 11.596 6.246 0.000) 13.171 19.095 ( 1.047 -1.220 -0.000) 1.608 19.294 ( -13.447 3.363 -0.000) 13.861 19.436 ( -14.084 -22.047 -0.000) 26.161 19.734 ( 1.956 -10.491 -0.000) 10.672 20.161 ( -1.700 -8.094 -0.000) 8.270 20.237 ( 10.322 -13.430 -0.000) 16.938 20.586 ( 14.873 11.057 0.000) 18.533 20.684 ( -1.022 -0.080 -0.000) 1.025 20.790 ( 11.589 -10.676 -0.000) 15.757 20.982 ( 17.262 5.245 0.000) 18.041 21.468 ( 2.748 3.205 0.000) 4.222 21.528 ( 5.232 8.317 0.000) 9.826 21.655 ( -16.283 2.009 -0.000) 16.406 22.004 ( -2.034 -2.310 -0.000) 3.077 22.171 ( 1.639 7.524 0.000) 7.700 22.234 ( -5.428 0.753 -0.000) 5.480 22.338 ( 1.898 -2.180 -0.000) 2.891 22.486 ( 3.997 -0.580 0.000) 4.039 22.717 ( -5.717 -0.326 -0.000) 5.726 22.734 ( -10.964 1.659 -0.000) 11.089 23.260 ( 2.398 1.535 0.000) 2.848 23.418 ( -3.956 4.446 0.000) 5.952 23.421 ( -1.145 0.695 0.000) 1.340 23.757 ( 2.039 -4.732 -0.000) 5.153 23.953 ( 12.908 0.651 0.000) 12.924 23.972 ( -0.020 11.754 0.000) 11.754 24.060 ( -1.624 -1.269 -0.000) 2.061 24.079 ( 14.808 3.781 0.000) 15.283 24.493 ( 19.991 -0.716 0.000) 20.003 24.665 ( 0.615 7.216 0.000) 7.242 24.907 ( 10.569 -10.699 -0.000) 15.039 25.003 ( 4.064 -4.594 -0.000) 6.134 25.107 ( 3.446 3.244 0.000) 4.732 25.281 ( 3.063 -0.993 0.000) 3.220 25.360 ( -6.352 1.295 -0.000) 6.483 25.521 ( -0.127 2.818 0.000) 2.820 26.736 ( 4.209 1.998 0.000) 4.659 26.772 ( 5.267 -1.429 0.000) 5.457 26.833 ( 2.035 1.765 0.000) 2.694 26.833 ( -0.941 -1.626 -0.000) 1.878 27.969 ( -8.982 -9.203 -0.000) 12.859 28.136 ( 3.082 6.584 0.000) 7.269 28.979 ( -12.251 8.238 0.000) 14.763 29.231 ( -4.940 -4.312 -0.000) 6.557 29.772 ( -2.585 6.022 0.000) 6.554 29.832 ( -0.067 -0.990 -0.000) 0.992 30.236 ( -5.723 -2.635 -0.000) 6.301 30.337 ( 1.660 -0.781 -0.000) 1.835 30.366 ( -4.133 -3.872 -0.000) 5.664 30.623 ( 6.610 2.119 0.000) 6.941 30.952 ( -3.273 0.852 -0.000) 3.382 31.268 ( 4.138 -2.836 -0.000) 5.016 31.907 ( -4.549 -1.208 -0.000) 4.706 32.143 ( 3.518 0.731 0.000) 3.593 ======================= Grid point 19 (19/105) ======================= q-point: ( 0.37 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -0.000 3.083 6.028) 6.771 3.257 ( 0.000 1.156 -2.226) 2.508 4.458 ( 0.000 41.747 34.994) 54.474 5.025 ( 0.000 12.505 18.042) 21.952 5.114 ( 0.000 -1.127 -2.199) 2.470 5.227 ( 0.000 29.010 45.125) 53.646 6.120 ( -0.000 -5.020 -4.540) 6.768 6.775 ( 0.000 48.049 35.842) 59.945 6.983 ( -0.000 25.699 68.223) 72.903 7.824 ( -0.000 1.550 3.275) 3.623 8.260 ( 0.000 0.392 -5.511) 5.525 8.433 ( -0.000 -12.132 14.115) 18.612 8.910 ( -0.000 -25.153 -42.970) 49.791 9.243 ( 0.000 -3.176 -25.311) 25.509 10.466 ( -0.000 -6.789 -3.147) 7.483 11.135 ( 0.000 25.128 8.189) 26.428 11.474 ( 0.000 19.266 -12.633) 23.039 11.785 ( -0.000 -15.741 9.710) 18.495 11.988 ( 0.000 -25.245 -62.478) 67.386 12.067 ( -0.000 3.929 7.134) 8.145 12.454 ( -0.000 -14.650 -8.679) 17.028 12.745 ( -0.000 -7.891 7.227) 10.700 13.128 ( 0.000 -0.937 -34.092) 34.105 13.287 ( -0.000 -28.618 -10.118) 30.354 14.738 ( 0.000 0.597 -2.587) 2.655 15.183 ( 0.000 12.834 -3.944) 13.427 15.638 ( -0.000 -6.796 6.431) 9.356 16.166 ( -0.000 -0.758 2.635) 2.741 16.756 ( 0.000 2.884 -4.607) 5.435 16.904 ( 0.000 1.835 2.868) 3.405 17.112 ( -0.000 -2.646 -4.250) 5.006 17.205 ( -0.000 3.221 15.208) 15.546 17.573 ( 0.000 9.616 3.898) 10.376 17.586 ( 0.000 1.128 -13.010) 13.059 17.877 ( -0.000 -12.373 3.723) 12.921 17.932 ( -0.000 1.401 15.306) 15.370 18.055 ( 0.000 6.706 1.605) 6.895 18.129 ( 0.000 -0.514 -1.087) 1.202 18.266 ( -0.000 3.072 19.469) 19.709 18.464 ( -0.000 -2.373 6.747) 7.152 18.736 ( 0.000 11.739 3.930) 12.380 18.886 ( 0.000 7.722 2.876) 8.240 19.060 ( -0.000 6.072 22.983) 23.772 19.129 ( 0.000 1.347 -3.777) 4.010 19.378 ( 0.000 -10.270 -21.801) 24.098 19.650 ( 0.000 -0.689 -6.328) 6.365 19.907 ( 0.000 -1.017 -33.953) 33.969 20.195 ( -0.000 -0.701 8.932) 8.960 20.584 ( 0.000 9.707 -13.312) 16.475 20.936 ( -0.000 -23.930 -6.035) 24.679 21.229 ( -0.000 -1.592 14.169) 14.258 21.518 ( 0.000 6.050 -4.313) 7.430 21.565 ( 0.000 -0.167 -0.715) 0.735 21.815 ( -0.000 -10.777 6.570) 12.622 21.905 ( -0.000 -10.324 3.072) 10.772 22.013 ( -0.000 1.290 13.623) 13.684 22.116 ( 0.000 5.035 1.417) 5.231 22.244 ( 0.000 0.975 -14.670) 14.702 22.465 ( -0.000 -0.504 -0.599) 0.783 22.665 ( -0.000 -2.189 4.108) 4.655 22.781 ( -0.000 -3.124 18.294) 18.559 22.999 ( -0.000 -8.759 16.462) 18.647 23.072 ( -0.000 -4.881 -2.000) 5.275 23.256 ( 0.000 9.390 2.447) 9.704 23.608 ( 0.000 1.711 -15.675) 15.768 23.697 ( -0.000 -9.219 -2.634) 9.588 23.786 ( 0.000 5.764 7.679) 9.602 23.939 ( 0.000 3.694 -1.401) 3.951 24.088 ( -0.000 -2.226 -0.452) 2.271 24.321 ( 0.000 4.950 -13.162) 14.062 24.606 ( 0.000 12.022 -0.111) 12.023 24.920 ( -0.000 -3.525 8.455) 9.160 25.084 ( -0.000 -4.209 -4.153) 5.913 25.187 ( 0.000 1.950 -0.665) 2.061 25.476 ( 0.000 4.637 1.110) 4.768 25.522 ( 0.000 -0.175 -1.227) 1.240 25.782 ( -0.000 -0.371 -0.351) 0.510 26.115 ( 0.000 5.234 -8.018) 9.575 26.593 ( -0.000 -0.574 -0.156) 0.595 26.806 ( -0.000 1.467 2.865) 3.219 26.924 ( -0.000 0.195 0.554) 0.587 27.182 ( -0.000 -0.587 2.526) 2.593 27.558 ( -0.000 -3.814 8.075) 8.931 27.945 ( 0.000 4.049 -11.128) 11.842 28.452 ( -0.000 2.463 6.390) 6.848 28.900 ( 0.000 -2.509 -7.667) 8.067 29.581 ( 0.000 5.893 -0.000) 5.893 29.770 ( -0.000 -4.238 -0.344) 4.252 29.970 ( 0.000 2.061 1.386) 2.484 29.999 ( 0.000 0.448 -0.047) 0.451 30.676 ( -0.000 -0.104 8.360) 8.361 30.927 ( 0.000 1.603 2.098) 2.640 30.927 ( -0.000 -0.450 0.629) 0.773 31.232 ( 0.000 -1.861 -6.874) 7.122 31.743 ( -0.000 -1.908 0.067) 1.909 32.231 ( 0.000 0.658 -0.510) 0.833 ======================= Grid point 20 (20/105) ======================= q-point: (-0.63 0.30 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 26.200 -0.259 1.384) 26.238 3.861 ( -0.152 2.632 8.650) 9.043 4.904 ( 5.444 2.680 -6.214) 8.685 5.183 ( 5.241 2.239 -0.167) 5.702 5.615 ( -4.774 -5.466 -5.277) 8.973 5.795 ( -5.283 -0.182 2.391) 5.801 7.049 ( 19.818 -20.416 -15.590) 32.444 7.461 ( 15.997 -12.529 -6.503) 21.335 7.903 ( -2.533 -5.320 -2.010) 6.226 8.177 ( -6.933 -0.346 5.685) 8.973 8.352 ( 12.199 -7.335 -14.499) 20.319 9.020 ( 14.136 17.665 30.839) 38.248 9.051 ( 16.305 4.058 11.977) 20.634 10.269 ( -16.646 9.668 -16.520) 25.367 10.360 ( 13.248 5.752 -10.151) 17.653 10.588 ( 1.034 -5.927 -6.899) 9.153 11.033 ( -0.229 -3.947 -11.242) 11.917 11.456 ( -1.520 -21.829 17.786) 28.198 11.815 ( 4.996 1.192 9.086) 10.438 12.320 ( -15.283 8.314 -4.329) 17.929 12.763 ( -7.943 1.510 21.819) 23.269 12.872 ( 15.294 -7.575 -5.308) 17.874 13.332 ( 10.716 -12.905 7.379) 18.325 13.781 ( 24.481 4.255 17.364) 30.314 15.097 ( 6.914 -5.295 -5.541) 10.322 15.388 ( -1.650 4.512 -19.285) 19.874 15.693 ( -1.383 -0.384 6.803) 6.953 15.901 ( 16.785 1.736 3.356) 17.205 16.327 ( -7.279 2.190 1.795) 7.810 16.649 ( -2.751 2.929 3.225) 5.152 16.919 ( -4.985 -3.663 6.567) 9.022 17.100 ( -4.264 4.646 2.695) 6.858 17.480 ( -3.605 -2.686 4.410) 6.298 17.673 ( -7.155 1.254 7.190) 10.220 17.796 ( 8.804 14.877 -6.964) 18.637 17.916 ( 14.198 7.285 -4.678) 16.629 18.104 ( 2.085 -1.177 -0.029) 2.395 18.354 ( -0.018 4.069 0.086) 4.070 18.389 ( 4.007 -4.883 -13.725) 15.109 18.562 ( -10.630 3.116 -5.501) 12.368 18.814 ( 2.066 14.893 2.184) 15.193 19.091 ( -1.994 15.299 2.551) 15.638 19.216 ( 4.130 -8.429 -5.263) 10.761 19.412 ( 8.409 4.141 -5.880) 11.065 19.585 ( 4.279 -4.972 -5.353) 8.467 19.685 ( -5.481 -7.062 -5.362) 10.425 19.973 ( 2.065 3.070 -2.632) 4.540 20.346 ( 0.077 4.660 7.190) 8.568 20.632 ( -5.146 -13.973 -5.735) 15.957 20.775 ( -16.673 -2.903 -5.625) 17.834 20.871 ( 3.440 -4.140 0.626) 5.419 21.167 ( -0.983 -4.747 0.189) 4.851 21.501 ( -8.254 3.059 1.633) 8.953 21.555 ( -7.826 1.005 0.676) 7.919 21.823 ( -1.040 5.876 -2.787) 6.586 22.022 ( 0.935 -1.429 -0.078) 1.710 22.162 ( 1.492 -2.330 2.875) 3.990 22.215 ( 2.074 -4.315 -6.012) 7.685 22.267 ( 1.888 0.717 6.796) 7.090 22.428 ( -1.605 3.368 1.890) 4.182 22.540 ( 5.420 -5.469 -0.753) 7.737 22.665 ( 4.521 0.710 1.648) 4.864 23.208 ( 1.970 -1.470 7.827) 8.204 23.318 ( 0.903 0.443 1.135) 1.516 23.553 ( 2.119 0.543 1.501) 2.653 23.791 ( 1.035 1.567 -1.529) 2.422 23.934 ( -2.896 2.381 0.374) 3.768 23.978 ( -7.967 -1.463 -3.486) 8.818 24.126 ( -4.835 -2.948 2.693) 6.271 24.230 ( -15.488 -0.599 3.115) 15.809 24.318 ( -15.760 -0.072 1.334) 15.816 24.386 ( -10.894 -1.177 7.098) 13.056 24.733 ( 2.626 3.291 0.422) 4.231 25.145 ( -0.657 -3.013 1.649) 3.497 25.249 ( -0.644 -0.057 -8.928) 8.952 25.431 ( -7.033 -2.136 -1.916) 7.596 25.512 ( 1.780 0.595 -1.350) 2.312 25.571 ( 0.398 -0.113 -2.695) 2.727 26.724 ( -2.036 3.705 -0.798) 4.302 26.802 ( -3.119 -2.587 -1.841) 4.451 26.899 ( -1.328 1.567 -2.602) 3.315 27.053 ( -4.176 -1.157 -4.735) 6.419 27.709 ( 5.604 4.633 1.179) 7.366 28.020 ( -1.428 -5.776 10.011) 11.646 28.883 ( 6.699 0.854 6.416) 9.315 28.997 ( 5.173 -0.696 4.260) 6.738 29.895 ( 4.547 -0.140 -4.282) 6.248 30.020 ( 0.180 -1.834 -2.581) 3.172 30.143 ( 7.398 1.115 2.191) 7.796 30.284 ( 8.058 1.732 -0.901) 8.291 30.588 ( -5.763 -2.143 -1.732) 6.388 30.663 ( -5.104 -0.686 -5.091) 7.242 30.957 ( 1.692 0.292 0.489) 1.785 31.103 ( -2.300 1.695 4.146) 5.035 31.901 ( 4.566 0.800 -0.647) 4.680 32.141 ( -3.270 -0.590 0.618) 3.380 ======================= Grid point 21 (21/105) ======================= q-point: (-0.24 -0.26 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( -24.847 0.107 -1.530) 24.894 3.659 ( -14.641 0.923 5.073) 15.523 4.920 ( 3.852 -1.287 -2.222) 4.630 5.114 ( -3.751 -0.916 2.868) 4.810 5.380 ( -12.327 -7.756 -22.454) 26.764 5.896 ( -0.456 -3.015 -5.005) 5.860 6.666 ( -15.248 -9.766 -48.626) 51.888 6.936 ( -11.784 -13.787 -27.188) 32.682 7.805 ( -8.012 0.785 -5.534) 9.769 8.248 ( 0.704 5.228 -1.376) 5.452 8.312 ( 1.614 0.227 0.595) 1.735 8.812 ( -23.821 26.335 28.368) 45.450 8.995 ( -1.731 22.118 15.322) 26.963 9.845 ( -30.045 -14.696 -40.989) 52.903 10.119 ( -3.905 -26.658 13.062) 29.942 10.701 ( 12.677 -14.770 5.336) 20.182 11.099 ( -18.019 -18.343 -6.949) 26.635 11.244 ( -1.722 8.829 0.944) 9.045 11.757 ( 11.850 6.217 -11.864) 17.884 12.443 ( -4.229 4.687 14.470) 15.787 12.531 ( 5.915 3.117 5.416) 8.605 13.034 ( -15.368 10.775 5.338) 19.514 13.132 ( 0.189 17.274 6.446) 18.438 13.731 ( -2.191 22.825 0.943) 22.950 14.942 ( -9.655 -1.558 -4.528) 10.778 15.191 ( -15.891 -6.817 -3.114) 17.570 15.675 ( 7.084 -4.208 -0.365) 8.248 15.972 ( 6.008 6.212 4.699) 9.837 16.445 ( 7.818 -4.079 1.790) 8.998 16.745 ( 9.195 5.183 2.319) 10.807 17.063 ( 4.068 4.534 1.876) 6.374 17.149 ( 3.286 2.581 -0.606) 4.222 17.433 ( -3.721 -14.980 2.516) 15.639 17.550 ( -8.945 -6.128 -1.083) 10.897 17.648 ( 3.262 0.982 4.694) 5.800 17.879 ( 16.288 -4.374 3.451) 17.214 17.888 ( 2.515 -16.700 -3.568) 17.261 18.293 ( -4.624 -10.738 -9.250) 14.908 18.481 ( -2.337 0.976 8.229) 8.610 18.597 ( -0.697 2.618 1.514) 3.103 18.745 ( -5.312 5.597 5.188) 9.298 18.957 ( -9.455 1.250 -1.892) 9.723 19.040 ( -11.343 -1.941 0.510) 11.519 19.516 ( 0.862 3.465 7.181) 8.019 19.671 ( -9.811 0.045 10.617) 14.456 19.797 ( -17.147 -2.291 -7.002) 18.663 19.910 ( 2.842 -2.441 -6.181) 7.228 20.240 ( -12.629 -0.435 10.034) 16.136 20.636 ( 16.130 -4.749 6.990) 18.209 20.668 ( -8.817 2.055 -18.148) 20.281 21.238 ( 4.936 -2.557 1.293) 5.707 21.475 ( 4.127 17.462 3.617) 18.304 21.653 ( 21.243 7.324 1.693) 22.534 21.774 ( 1.531 -0.475 0.666) 1.736 21.924 ( 1.584 1.111 8.111) 8.338 22.052 ( 10.101 -2.070 -3.299) 10.826 22.156 ( 11.974 -0.944 -6.456) 13.636 22.174 ( -1.216 0.962 2.186) 2.680 22.310 ( -3.693 4.913 -3.055) 6.863 22.461 ( -0.562 1.462 2.623) 3.055 22.622 ( 3.968 1.058 7.466) 8.521 22.786 ( 3.307 0.588 9.562) 10.135 23.032 ( -0.533 2.381 -10.356) 10.639 23.251 ( 1.965 -3.306 -5.654) 6.838 23.374 ( -2.917 -5.861 1.156) 6.648 23.686 ( -0.711 -3.617 -3.425) 5.031 23.888 ( 2.039 -3.176 -2.965) 4.800 24.081 ( 0.621 0.788 -0.981) 1.404 24.236 ( -2.955 2.505 0.935) 3.986 24.285 ( -1.807 -1.267 -0.511) 2.265 24.481 ( 13.286 -1.089 -7.710) 15.400 24.593 ( 11.642 -2.222 2.223) 12.059 24.888 ( 12.947 2.625 3.424) 13.647 25.181 ( 4.010 1.408 -3.820) 5.715 25.307 ( -1.472 -1.150 0.856) 2.055 25.450 ( -0.413 -0.750 -0.604) 1.048 25.606 ( 4.136 0.125 -0.551) 4.175 25.688 ( 9.218 1.607 -2.651) 9.725 26.718 ( 0.878 -1.925 1.738) 2.738 26.898 ( 0.434 2.025 -1.380) 2.489 26.943 ( 0.245 -0.587 -0.331) 0.717 27.183 ( 2.417 0.103 1.128) 2.669 27.667 ( -1.866 -1.766 9.322) 9.669 27.885 ( -2.175 3.180 -10.046) 10.759 28.621 ( -3.304 -2.628 -5.452) 6.895 28.900 ( -6.608 1.458 4.312) 8.025 29.725 ( -8.871 -3.206 -2.541) 9.769 29.995 ( -1.241 -0.162 -2.251) 2.575 30.057 ( -9.485 1.729 1.137) 9.708 30.152 ( -4.726 1.352 1.934) 5.282 30.737 ( 3.917 1.465 -1.721) 4.522 30.816 ( 5.716 -1.134 -2.406) 6.305 30.939 ( -0.099 -0.295 0.941) 0.991 31.084 ( 1.086 0.227 4.084) 4.233 31.829 ( -4.069 -0.166 1.557) 4.360 32.186 ( 2.251 0.192 -0.788) 2.392 ======================= Grid point 22 (22/105) ======================= q-point: (-0.24 0.07 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 30.960 3.396 4.659) 31.492 2.881 ( 48.985 -38.499 -43.739) 76.123 3.067 ( 44.697 -50.326 -43.905) 80.362 3.941 ( 32.532 -4.452 -4.471) 33.138 4.595 ( 80.434 -48.900 -62.787) 113.150 4.996 ( -5.724 0.465 -2.914) 6.440 5.245 ( 0.862 0.928 3.168) 3.412 6.026 ( -1.195 -10.008 -6.321) 11.898 6.391 ( -4.437 2.461 -13.459) 14.383 7.798 ( 0.773 -1.655 1.150) 2.158 8.268 ( -8.601 16.610 -24.731) 31.008 8.322 ( 1.867 0.086 0.136) 1.874 9.631 ( 1.043 -5.319 11.743) 12.934 10.125 ( 7.123 15.152 22.532) 28.071 10.430 ( -6.905 -9.986 -4.520) 12.955 10.649 ( 1.727 -8.924 -1.742) 9.255 10.978 ( -17.611 -38.433 8.540) 43.130 11.831 ( -7.266 6.063 6.021) 11.216 11.947 ( -6.925 -0.173 4.702) 8.372 12.996 ( 9.096 16.206 3.419) 18.896 13.070 ( -8.068 28.311 -2.066) 29.510 13.163 ( 6.193 16.145 7.659) 18.913 13.835 ( -6.236 4.473 30.004) 30.970 14.169 ( -6.718 9.463 23.120) 25.869 14.695 ( -0.301 -8.034 -0.922) 8.092 15.081 ( -0.263 -6.322 4.259) 7.628 15.732 ( -0.958 7.539 1.214) 7.696 16.042 ( -6.841 2.076 -1.537) 7.312 16.649 ( -0.083 -0.929 -12.207) 12.243 16.787 ( -0.029 -4.669 -1.404) 4.875 16.956 ( 5.256 -4.972 5.712) 9.219 17.295 ( 5.032 -2.205 2.116) 5.887 17.342 ( 3.599 -7.019 -3.280) 8.543 17.512 ( -4.633 -3.178 -15.653) 16.631 17.656 ( -0.518 -4.254 4.355) 6.110 17.765 ( 1.868 -9.870 2.845) 10.441 17.978 ( 4.721 3.669 -7.229) 9.381 18.110 ( 1.580 3.302 -1.379) 3.911 18.206 ( 6.351 -5.997 -5.504) 10.325 18.249 ( 6.251 -3.090 -4.589) 8.348 18.543 ( 1.356 1.450 6.248) 6.556 18.698 ( 9.550 1.528 -13.502) 16.608 18.991 ( 25.382 -0.326 -7.762) 26.544 19.179 ( -3.611 0.559 1.030) 3.797 19.859 ( 5.781 0.081 3.483) 6.750 19.917 ( -12.157 4.591 17.582) 21.864 20.192 ( 1.193 4.683 16.248) 16.952 20.588 ( -5.850 -1.145 10.791) 12.328 20.675 ( 0.769 -5.247 20.189) 20.873 20.918 ( -3.292 0.378 -9.416) 9.982 21.149 ( -6.639 15.445 -17.047) 23.942 21.474 ( -2.219 -5.510 -4.538) 7.475 21.567 ( -3.667 -0.880 -15.931) 16.371 21.600 ( -3.074 -1.749 3.082) 4.692 21.937 ( -0.311 0.571 -5.834) 5.870 22.039 ( -4.184 10.891 -1.750) 11.798 22.162 ( 2.641 5.466 2.579) 6.595 22.265 ( -7.620 4.494 -13.182) 15.876 22.457 ( -5.001 0.205 2.191) 5.464 22.487 ( -1.240 -1.395 5.313) 5.631 22.636 ( 0.588 6.690 -4.606) 8.144 22.739 ( -1.254 -0.344 -7.446) 7.559 23.149 ( 3.266 2.943 0.436) 4.418 23.206 ( 2.468 0.623 0.212) 2.554 23.572 ( -0.268 -4.160 0.611) 4.213 23.644 ( -11.284 -0.609 5.961) 12.776 23.874 ( -0.301 -7.604 4.659) 8.923 24.066 ( -0.988 5.512 -2.581) 6.165 24.126 ( -2.029 0.178 1.115) 2.323 24.269 ( -2.455 -13.512 -3.975) 14.297 24.462 ( 2.875 -2.216 4.396) 5.701 24.937 ( 0.058 1.259 5.584) 5.724 25.122 ( 0.818 -2.231 3.220) 4.002 25.275 ( -1.103 3.959 3.970) 5.714 25.347 ( -0.544 -0.859 -6.039) 6.124 25.396 ( 4.321 -2.672 -3.969) 6.447 25.675 ( -18.348 0.981 -2.025) 18.485 25.845 ( -26.800 -4.345 3.822) 27.418 26.701 ( 5.490 0.878 0.173) 5.563 26.764 ( 4.541 -1.726 -2.224) 5.343 26.869 ( -2.361 -0.816 -2.278) 3.381 27.092 ( -2.857 0.217 -5.580) 6.273 27.641 ( 10.989 2.663 1.448) 11.400 28.060 ( -0.969 -2.369 5.763) 6.306 28.364 ( 7.383 -2.906 -2.432) 8.299 29.096 ( 1.751 1.740 5.019) 5.593 29.491 ( 4.078 -5.329 -1.249) 6.826 29.854 ( 0.315 -0.248 -1.714) 1.761 29.990 ( 6.612 3.099 2.872) 7.846 30.143 ( 11.347 4.090 5.081) 13.088 30.518 ( -0.589 0.814 -6.924) 6.997 30.816 ( -3.642 -1.433 -1.498) 4.191 30.920 ( -0.349 0.282 -0.601) 0.750 31.371 ( -1.194 1.327 4.140) 4.508 31.808 ( 1.998 1.764 0.176) 2.671 32.214 ( -1.210 -0.679 0.335) 1.428 ======================= Grid point 23 (23/105) ======================= q-point: (-0.24 0.41 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.460 ( 24.845 0.659 -8.294) 26.201 3.851 ( -22.260 -0.990 -4.788) 22.790 4.958 ( -2.816 -7.166 7.529) 10.769 5.168 ( 5.538 0.093 5.966) 8.141 5.457 ( 7.346 1.623 -2.416) 7.901 5.577 ( 2.563 -0.327 2.141) 3.356 6.948 ( 52.874 -6.683 6.601) 53.701 7.231 ( 35.982 -9.246 8.844) 38.189 7.904 ( 2.702 3.105 -5.851) 7.153 8.141 ( -8.758 8.689 -0.492) 12.347 8.407 ( 24.336 -3.478 -7.769) 25.782 9.196 ( -14.428 11.561 3.067) 18.741 9.458 ( -18.629 -8.450 8.240) 22.053 9.697 ( -23.915 0.222 7.926) 25.195 10.138 ( -20.061 -22.191 12.338) 32.359 10.855 ( 75.609 -6.615 8.644) 76.388 10.895 ( -2.165 9.287 -6.996) 11.827 11.210 ( 19.002 -0.589 -1.119) 19.044 11.899 ( -2.617 -5.207 -3.666) 6.885 12.776 ( -6.351 9.104 -17.562) 20.776 12.909 ( -13.121 19.016 -19.709) 30.368 13.495 ( -10.707 -3.979 0.879) 11.456 13.590 ( 6.836 -2.141 -12.570) 14.468 13.827 ( 6.311 7.908 3.218) 10.617 14.599 ( 0.094 -5.063 22.180) 22.751 15.163 ( -5.090 4.992 23.740) 24.787 16.030 ( 8.472 0.330 -12.601) 15.188 16.192 ( 7.252 -0.495 -9.200) 11.725 16.289 ( 0.620 -7.422 -11.845) 13.992 16.768 ( -6.611 6.443 5.955) 10.985 17.069 ( -7.003 4.942 -7.290) 11.252 17.207 ( -3.230 2.294 -3.624) 5.369 17.398 ( -6.045 -5.939 0.686) 8.502 17.504 ( -1.740 -18.853 -0.820) 18.951 17.695 ( -4.407 -8.530 -5.427) 11.029 17.973 ( 4.155 -4.076 8.644) 10.421 18.248 ( 11.716 6.526 -3.512) 13.863 18.418 ( -21.039 6.071 -2.168) 22.004 18.607 ( 0.928 -1.062 6.000) 6.163 18.705 ( -9.750 6.489 1.837) 11.855 18.797 ( -3.253 3.088 3.163) 5.488 18.873 ( 9.608 1.216 11.567) 15.086 19.129 ( -8.638 -9.489 -3.549) 13.313 19.467 ( 19.017 5.528 14.196) 24.367 19.759 ( -36.150 -9.010 -8.914) 38.307 19.873 ( -9.423 4.641 -7.612) 12.972 20.083 ( 16.660 10.709 -6.102) 20.724 20.137 ( -6.622 -1.025 -0.191) 6.704 20.466 ( 0.493 -1.301 -2.846) 3.167 20.548 ( 6.712 10.585 8.536) 15.164 20.641 ( -4.133 -3.534 5.373) 7.645 21.038 ( 12.674 -7.897 -3.739) 15.394 21.368 ( -6.693 11.375 0.174) 13.199 21.565 ( -3.338 2.647 1.305) 4.455 21.889 ( 4.469 1.791 3.438) 5.916 21.952 ( -3.483 -7.721 1.739) 8.647 22.118 ( 9.448 -0.855 0.898) 9.529 22.234 ( -1.565 -1.563 -2.462) 3.309 22.287 ( -1.243 -1.347 0.040) 1.833 22.535 ( 3.341 4.152 0.565) 5.359 22.842 ( 10.823 3.270 -5.363) 12.513 22.921 ( 11.569 -0.822 -1.007) 11.642 23.262 ( 1.169 -0.887 -3.189) 3.511 23.342 ( -6.892 -0.322 0.874) 6.955 23.414 ( 2.755 -1.259 -2.170) 3.726 23.551 ( -14.945 -2.562 7.684) 16.999 23.685 ( -3.073 -4.923 -0.374) 5.815 23.817 ( -6.507 -3.160 -1.886) 7.475 23.928 ( -0.950 0.872 5.295) 5.450 24.037 ( 2.110 -1.893 -2.936) 4.081 24.345 ( -0.282 1.955 -3.814) 4.295 24.437 ( 0.758 -2.192 -9.547) 9.825 24.933 ( -6.146 1.976 0.955) 6.526 25.075 ( 0.620 5.358 0.886) 5.466 25.141 ( 3.799 0.293 3.509) 5.180 25.273 ( -4.157 1.706 3.620) 5.770 25.456 ( 0.283 -3.447 3.073) 4.627 25.515 ( 2.477 -0.027 3.064) 3.940 26.647 ( -1.677 -1.170 -0.253) 2.060 26.743 ( -2.479 1.226 2.487) 3.719 26.799 ( -1.880 -2.010 2.920) 4.013 26.909 ( 0.288 1.170 3.720) 3.910 27.904 ( -4.898 -3.478 -4.015) 7.225 28.214 ( 6.109 7.468 -7.711) 12.351 28.925 ( 5.505 -6.920 -6.044) 10.711 29.314 ( 2.133 2.744 -5.952) 6.892 29.775 ( 3.834 -2.366 3.780) 5.881 29.909 ( 0.845 0.019 4.844) 4.917 30.322 ( 0.356 -0.638 2.770) 2.865 30.406 ( -1.871 1.249 5.108) 5.581 30.468 ( -5.693 -1.030 0.222) 5.789 30.492 ( 4.718 2.828 -2.555) 6.065 30.997 ( 3.522 -0.990 -0.814) 3.748 31.183 ( -5.280 1.384 -2.878) 6.171 32.001 ( 3.357 0.130 -0.538) 3.403 32.063 ( -3.276 0.000 0.395) 3.299 ======================= Grid point 24 (24/105) ======================= q-point: ( 0.16 -0.16 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -33.037 -12.594 -0.000) 35.356 2.379 ( -71.950 47.689 0.000) 86.319 2.535 ( -60.800 61.751 0.000) 86.660 3.515 ( -89.170 73.381 0.000) 115.482 4.339 ( -52.703 -22.089 -0.000) 57.145 4.952 ( 9.179 0.003 0.000) 9.179 5.277 ( -0.300 -2.576 -0.000) 2.594 5.960 ( 1.508 6.139 0.000) 6.322 6.191 ( 8.773 5.781 0.000) 10.507 7.815 ( -1.021 1.698 0.000) 1.981 7.895 ( -2.452 1.575 0.000) 2.914 8.327 ( -1.557 0.115 -0.000) 1.562 9.772 ( -0.318 10.723 0.000) 10.728 10.346 ( 4.314 13.467 0.000) 14.141 10.391 ( 0.084 -7.577 -0.000) 7.577 10.583 ( -7.514 -6.561 -0.000) 9.975 11.154 ( 42.576 50.156 0.000) 65.790 11.924 ( 14.625 -15.619 -0.000) 21.397 12.002 ( -5.179 0.586 -0.000) 5.212 13.029 ( 7.432 -29.327 -0.000) 30.254 13.034 ( -12.313 -13.284 -0.000) 18.113 13.206 ( -3.808 -18.311 -0.000) 18.703 14.222 ( 7.820 -4.650 -0.000) 9.098 14.412 ( 11.475 -6.047 -0.000) 12.971 14.686 ( 8.393 10.145 0.000) 13.167 15.141 ( 3.486 6.352 0.000) 7.246 15.770 ( -2.148 -8.435 -0.000) 8.704 16.034 ( 12.334 -3.242 0.000) 12.753 16.411 ( -4.618 3.267 0.000) 5.657 16.824 ( 4.386 3.743 0.000) 5.766 17.050 ( -3.771 1.039 -0.000) 3.911 17.292 ( -6.842 0.772 -0.000) 6.885 17.323 ( -1.966 28.247 0.000) 28.315 17.380 ( -17.657 -0.663 -0.000) 17.669 17.610 ( -9.558 2.192 -0.000) 9.806 17.863 ( 2.101 6.814 0.000) 7.131 17.879 ( 4.205 -7.060 -0.000) 8.217 18.106 ( -10.237 -2.726 -0.000) 10.593 18.139 ( 6.783 2.236 0.000) 7.142 18.294 ( -15.931 -0.687 -0.000) 15.946 18.368 ( -7.955 -2.607 -0.000) 8.372 18.634 ( 2.940 -3.401 -0.000) 4.496 18.973 ( -24.688 1.838 -0.000) 24.756 19.181 ( 6.119 -0.925 0.000) 6.188 19.872 ( -4.192 0.405 -0.000) 4.212 20.108 ( 1.645 -3.285 -0.000) 3.674 20.578 ( 1.459 -16.579 -0.000) 16.643 20.674 ( 13.248 -4.119 0.000) 13.874 20.742 ( 5.975 3.572 0.000) 6.961 20.823 ( -2.276 2.166 0.000) 3.142 21.140 ( 9.584 1.394 0.000) 9.685 21.215 ( 8.454 5.938 0.000) 10.330 21.382 ( 4.813 0.539 0.000) 4.843 21.702 ( 11.187 3.356 0.000) 11.679 21.757 ( -6.856 -4.065 -0.000) 7.970 22.054 ( 4.866 -11.908 -0.000) 12.864 22.148 ( -3.547 2.383 0.000) 4.273 22.207 ( -1.008 -6.986 -0.000) 7.058 22.514 ( 2.728 -4.732 -0.000) 5.462 22.533 ( 4.229 4.337 0.000) 6.058 22.594 ( -8.668 -4.922 -0.000) 9.967 22.606 ( 1.365 -1.916 -0.000) 2.353 23.154 ( -5.655 -3.433 -0.000) 6.616 23.205 ( -2.311 -1.452 -0.000) 2.730 23.556 ( -6.199 4.346 0.000) 7.571 23.735 ( 17.845 -2.085 0.000) 17.967 23.943 ( -2.740 10.278 0.000) 10.637 24.024 ( 2.445 -3.406 -0.000) 4.193 24.143 ( 8.560 -2.256 0.000) 8.852 24.214 ( 2.939 14.792 0.000) 15.081 24.501 ( -0.999 0.953 0.000) 1.381 25.057 ( -4.763 1.298 -0.000) 4.937 25.166 ( -4.759 -0.642 -0.000) 4.802 25.197 ( 2.560 1.187 0.000) 2.822 25.334 ( 0.744 -3.386 -0.000) 3.467 25.385 ( -5.141 2.824 0.000) 5.865 25.625 ( 21.867 1.162 0.000) 21.898 25.897 ( 31.118 3.148 0.000) 31.277 26.711 ( -3.933 -0.260 -0.000) 3.942 26.734 ( -6.759 1.441 -0.000) 6.911 26.837 ( 2.053 3.154 0.000) 3.764 27.024 ( 3.551 -0.715 0.000) 3.623 27.665 ( -12.646 -3.061 -0.000) 13.011 28.116 ( 0.889 3.068 0.000) 3.194 28.340 ( -9.429 3.296 -0.000) 9.989 29.149 ( -1.676 -1.880 -0.000) 2.518 29.477 ( -3.679 5.882 0.000) 6.938 29.840 ( 0.098 -0.204 -0.000) 0.226 30.029 ( -6.767 -4.453 -0.000) 8.101 30.234 ( -13.371 -10.852 -0.000) 17.221 30.430 ( 1.190 -1.620 -0.000) 2.010 30.799 ( 3.486 1.936 0.000) 3.988 30.914 ( 0.455 -0.334 -0.000) 0.564 31.415 ( 1.247 -1.418 -0.000) 1.889 31.809 ( -1.917 -1.939 -0.000) 2.726 32.218 ( 1.206 0.777 0.000) 1.434 ======================= Grid point 25 (25/105) ======================= q-point: ( 0.16 0.18 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 26.393 -0.040 -1.039) 26.413 3.843 ( 18.235 -2.261 -11.523) 21.689 4.649 ( 26.939 14.204 30.041) 42.778 4.882 ( 9.991 14.170 20.654) 26.966 5.153 ( 8.092 -0.231 2.339) 8.426 5.407 ( 28.214 17.393 31.158) 45.490 6.066 ( 0.092 -3.847 7.569) 8.491 6.446 ( 7.020 17.157 20.777) 27.845 7.666 ( 32.826 8.887 20.735) 39.830 7.908 ( 17.626 6.459 23.159) 29.812 8.331 ( -1.703 -0.562 -0.561) 1.879 8.625 ( 17.589 -8.094 27.761) 33.846 9.387 ( 1.593 -8.757 -12.803) 15.593 9.786 ( 19.132 -26.304 -31.474) 45.261 10.283 ( -3.896 23.357 -3.835) 23.989 10.656 ( -13.088 13.985 8.719) 21.045 10.965 ( 0.352 6.354 7.137) 9.562 11.358 ( -6.691 17.232 -15.559) 24.162 11.609 ( -18.882 -3.108 4.060) 19.562 12.802 ( -1.270 -9.752 -13.881) 17.012 12.929 ( -1.420 -15.149 -25.129) 29.377 13.190 ( 15.084 -12.368 -8.073) 21.110 13.278 ( -0.102 -13.048 -10.904) 17.005 13.753 ( -3.931 -14.352 -3.632) 15.318 14.840 ( 7.183 3.032 5.691) 9.653 15.166 ( 15.383 4.468 -0.040) 16.019 15.669 ( -3.676 3.587 -0.758) 5.192 15.988 ( -6.423 -3.476 2.987) 7.891 16.518 ( -7.888 0.853 -5.117) 9.441 16.826 ( -3.366 -2.147 -5.707) 6.964 17.071 ( 3.867 5.352 5.156) 8.378 17.196 ( -6.557 -9.023 -7.312) 13.337 17.486 ( 1.938 6.188 0.870) 6.542 17.542 ( 9.664 5.912 -3.655) 11.904 17.663 ( -8.250 0.253 12.104) 14.650 17.744 ( 3.470 12.134 -3.283) 13.040 18.039 ( -5.028 1.999 -10.902) 12.171 18.109 ( 0.054 13.786 7.019) 15.470 18.463 ( 15.479 -7.274 11.308) 20.503 18.662 ( 1.195 -7.548 -1.118) 7.723 18.756 ( 13.117 4.519 -0.353) 13.878 19.010 ( -0.284 -4.529 -2.787) 5.326 19.078 ( 6.490 -0.084 4.799) 8.072 19.411 ( 11.802 0.004 -4.192) 12.525 19.635 ( 6.410 0.465 9.841) 11.753 19.898 ( 17.073 4.083 -5.451) 18.381 20.040 ( -9.301 -2.889 -11.188) 14.833 20.324 ( 5.142 -0.017 2.305) 5.635 20.492 ( 7.009 2.547 -7.323) 10.452 20.742 ( -20.434 -0.576 -1.131) 20.473 21.201 ( -17.466 -8.574 6.588) 20.542 21.454 ( -6.977 2.749 3.153) 8.135 21.669 ( 3.631 -2.254 1.751) 4.618 21.703 ( -6.788 -11.410 6.083) 14.603 21.966 ( -2.315 -0.620 0.383) 2.427 22.084 ( -10.568 2.045 1.166) 10.827 22.108 ( -11.879 -1.867 -1.040) 12.070 22.210 ( -7.829 0.895 -0.599) 7.903 22.307 ( 4.604 -3.100 -2.155) 5.954 22.398 ( -0.146 -0.324 5.264) 5.276 22.694 ( -2.174 -10.638 2.904) 11.239 22.748 ( -3.970 -2.673 5.089) 6.986 23.056 ( 2.334 3.104 -8.318) 9.180 23.199 ( 0.487 5.036 -2.398) 5.599 23.420 ( 3.842 1.390 -1.298) 4.287 23.642 ( -1.101 9.326 0.121) 9.392 23.844 ( 1.159 2.659 0.259) 2.912 24.081 ( -1.661 1.670 -0.485) 2.404 24.154 ( -0.640 -2.379 5.466) 5.995 24.328 ( -9.608 5.267 5.922) 12.455 24.389 ( 1.973 0.938 -5.315) 5.746 24.710 ( -9.791 0.121 -8.161) 12.747 24.977 ( -15.283 -3.055 -4.965) 16.357 25.106 ( -3.323 0.650 2.404) 4.152 25.306 ( -0.830 -0.178 -0.212) 0.875 25.446 ( -3.235 0.717 1.073) 3.483 25.545 ( -6.121 -0.002 4.927) 7.858 25.598 ( -3.183 -0.119 6.028) 6.818 26.748 ( -0.960 1.338 -0.928) 1.890 26.858 ( 0.444 -1.795 2.232) 2.899 26.907 ( 0.999 0.933 2.721) 3.045 27.143 ( -4.758 -0.288 5.498) 7.277 27.788 ( 7.489 -3.718 -1.336) 8.467 27.874 ( -0.689 2.253 -9.441) 9.730 28.548 ( 6.904 3.709 1.397) 7.961 29.023 ( 4.559 -1.801 -6.874) 8.443 29.651 ( 7.052 3.842 3.934) 8.942 29.936 ( 1.757 1.096 3.464) 4.036 30.088 ( 9.360 -1.926 -1.799) 9.724 30.212 ( 6.440 -2.763 -3.962) 8.050 30.649 ( -2.033 0.073 6.782) 7.081 30.749 ( -6.928 0.470 2.293) 7.313 30.935 ( 0.334 0.071 0.861) 0.926 31.220 ( -2.117 -1.129 -7.037) 7.435 31.853 ( 3.499 -0.626 -0.729) 3.629 32.177 ( -2.195 0.212 0.062) 2.206 ======================= Grid point 26 (26/105) ======================= q-point: ( 0.16 -0.49 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( -22.251 0.962 5.061) 22.840 3.734 ( 17.793 -0.155 5.800) 18.715 5.095 ( -5.787 4.352 -4.639) 8.599 5.314 ( 1.081 1.345 -7.123) 7.329 5.393 ( -6.100 -1.286 3.467) 7.133 5.632 ( 5.014 -1.339 -2.856) 5.923 7.148 ( -37.087 6.332 -11.677) 39.394 7.455 ( -30.930 6.843 -12.144) 33.926 7.801 ( 0.501 -0.372 2.738) 2.808 8.087 ( 6.489 -7.421 3.738) 10.543 8.351 ( -14.012 6.729 -1.520) 15.618 9.181 ( 9.299 -10.707 3.029) 14.501 9.726 ( 14.457 5.751 -15.681) 22.091 9.899 ( 19.497 -6.173 -9.787) 22.672 10.156 ( 4.706 20.131 9.022) 22.557 10.664 ( 9.487 1.994 14.792) 17.686 11.168 ( -19.080 -8.109 1.156) 20.764 11.294 ( -46.844 -1.562 -26.333) 53.761 11.745 ( -7.266 15.709 7.675) 18.933 12.446 ( 13.789 -18.268 14.036) 26.849 12.605 ( 6.038 -16.486 7.399) 19.053 13.336 ( -4.783 -4.920 10.519) 12.559 13.467 ( 4.354 16.286 3.748) 17.270 13.899 ( -7.098 -8.164 -3.676) 11.425 15.057 ( -4.566 1.712 -20.361) 20.937 15.536 ( 7.425 -4.372 -4.857) 9.891 15.858 ( -3.792 6.117 4.997) 8.762 16.018 ( -14.882 -3.896 -0.229) 15.385 16.092 ( 1.217 7.039 5.129) 8.794 16.822 ( 14.332 -9.531 4.238) 17.726 16.978 ( -0.840 -6.346 0.116) 6.403 17.158 ( 4.788 -0.561 -1.071) 4.938 17.399 ( 3.644 4.648 1.290) 6.046 17.487 ( -3.644 22.119 5.236) 23.020 17.613 ( 2.549 11.317 -3.139) 12.018 17.880 ( -8.946 0.855 12.281) 15.218 18.252 ( -0.976 -5.051 0.200) 5.148 18.382 ( 8.615 -0.985 0.486) 8.685 18.507 ( 3.711 -1.242 11.976) 12.599 18.720 ( 3.824 -2.701 1.735) 4.993 18.860 ( 6.717 -5.008 -0.472) 8.392 19.196 ( -2.465 2.041 -16.671) 16.976 19.253 ( 15.130 6.624 22.519) 27.927 19.343 ( 3.924 1.913 -19.734) 20.211 19.618 ( -10.098 -17.671 4.401) 20.823 19.872 ( -12.580 -11.297 -7.172) 18.366 20.119 ( -0.733 6.767 1.704) 7.017 20.250 ( 7.329 -2.776 -8.967) 11.909 20.462 ( -2.863 0.804 -4.216) 5.159 20.711 ( 21.973 1.280 -6.081) 22.835 20.754 ( -10.398 7.977 -5.898) 14.372 20.985 ( -9.781 2.807 -2.212) 10.413 21.352 ( 2.777 -4.214 2.260) 5.529 21.464 ( 7.034 -3.502 12.241) 14.546 21.789 ( 3.535 5.412 4.969) 8.153 22.006 ( -1.445 0.572 2.797) 3.200 22.140 ( -7.715 -0.013 -1.320) 7.827 22.244 ( 6.843 2.471 -3.354) 8.011 22.370 ( -1.897 -6.466 -6.548) 9.397 22.565 ( -4.795 -2.361 -1.720) 5.615 22.720 ( -4.415 -9.451 5.723) 11.898 22.874 ( -3.159 0.296 3.677) 4.857 23.189 ( -4.879 1.658 2.182) 5.596 23.337 ( -4.207 -0.320 4.596) 6.239 23.432 ( 8.167 1.145 -6.943) 10.780 23.626 ( -1.632 11.590 0.391) 11.711 23.762 ( 16.402 0.857 -5.748) 17.401 23.806 ( 0.945 1.275 -1.824) 2.418 23.930 ( -5.461 1.639 6.389) 8.563 24.035 ( 0.077 -0.232 -4.392) 4.399 24.234 ( 8.221 -0.311 7.656) 11.238 24.274 ( 0.452 -2.595 4.237) 4.989 24.915 ( -1.614 -0.386 1.957) 2.566 25.101 ( 0.886 -4.611 -1.568) 4.950 25.231 ( -1.377 1.282 -4.154) 4.560 25.346 ( 2.456 -0.340 -2.996) 3.889 25.543 ( -1.289 0.764 -4.337) 4.589 25.569 ( -0.140 0.363 -1.855) 1.895 26.643 ( 1.972 2.126 0.219) 2.908 26.792 ( 1.367 -1.310 -1.799) 2.612 26.888 ( 3.067 1.471 -5.084) 6.117 26.992 ( 0.061 -1.431 -3.524) 3.804 27.808 ( 3.001 2.294 4.602) 5.954 28.031 ( -4.514 -5.383 8.336) 10.902 28.800 ( -4.075 6.068 4.921) 8.812 29.182 ( -1.633 -3.011 5.754) 6.697 29.879 ( -4.498 2.205 -5.785) 7.653 30.006 ( -0.871 0.265 -3.624) 3.737 30.371 ( -3.054 -0.753 -0.024) 3.146 30.419 ( 2.901 -1.251 1.693) 3.584 30.438 ( -0.804 0.090 0.523) 0.963 30.577 ( 1.515 -0.340 -7.234) 7.398 30.973 ( -1.038 0.861 1.602) 2.094 31.106 ( 3.118 -1.210 4.040) 5.245 31.988 ( -2.472 0.390 0.699) 2.598 32.073 ( 2.289 -0.484 -0.517) 2.396 ======================= Grid point 27 (27/105) ======================= q-point: (-0.45 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 0.000 -0.078 -1.557) 1.559 3.220 ( -0.000 -0.314 0.264) 0.410 5.064 ( 0.000 -4.416 -21.646) 22.092 5.080 ( 0.000 0.256 -0.533) 0.591 5.088 ( 0.000 -0.014 -0.146) 0.147 5.994 ( -0.000 1.155 6.390) 6.494 6.324 ( 0.000 -9.849 -34.949) 36.310 7.185 ( -0.000 -9.329 -12.392) 15.511 7.823 ( -0.000 -22.386 -6.391) 23.281 7.866 ( -0.000 9.122 20.331) 22.283 8.232 ( 0.000 9.496 -7.538) 12.124 8.404 ( 0.000 4.680 5.158) 6.964 8.652 ( -0.000 6.442 17.905) 19.028 9.144 ( 0.000 -0.057 -45.351) 45.351 10.354 ( -0.000 -10.084 33.114) 34.615 10.621 ( 0.000 18.822 6.564) 19.934 11.204 ( -0.000 -30.542 2.433) 30.639 11.479 ( -0.000 -4.559 -1.076) 4.684 11.967 ( 0.000 15.623 -3.520) 16.014 12.183 ( 0.000 3.557 4.517) 5.749 12.315 ( -0.000 -0.878 -0.097) 0.883 12.685 ( 0.000 9.493 -1.335) 9.586 12.823 ( -0.000 -5.367 0.471) 5.388 13.177 ( 0.000 27.179 6.232) 27.885 14.723 ( 0.000 2.176 -0.872) 2.344 15.140 ( -0.000 -11.360 -1.219) 11.425 15.751 ( 0.000 10.774 -3.084) 11.207 16.156 ( -0.000 -3.760 3.226) 4.955 16.718 ( -0.000 -1.473 -0.432) 1.536 16.959 ( 0.000 2.127 -2.344) 3.165 17.062 ( 0.000 1.048 0.442) 1.138 17.413 ( -0.000 -0.225 1.974) 1.987 17.439 ( -0.000 -0.185 -0.237) 0.301 17.547 ( -0.000 -17.232 -1.012) 17.261 17.853 ( 0.000 12.084 1.234) 12.147 18.068 ( -0.000 -9.842 0.527) 9.856 18.159 ( 0.000 2.312 -1.031) 2.531 18.182 ( 0.000 4.829 -3.430) 5.923 18.501 ( -0.000 -2.533 2.761) 3.747 18.608 ( 0.000 2.651 -2.046) 3.348 18.788 ( -0.000 -17.373 -4.699) 17.997 18.978 ( 0.000 -0.056 -2.519) 2.520 19.003 ( -0.000 1.587 10.892) 11.007 19.254 ( 0.000 -1.986 -19.829) 19.928 19.300 ( -0.000 1.288 17.922) 17.969 19.352 ( 0.000 0.215 -0.054) 0.222 19.539 ( -0.000 -9.324 2.788) 9.732 20.308 ( -0.000 -11.966 5.000) 12.969 20.475 ( 0.000 2.843 -11.893) 12.228 20.805 ( 0.000 29.884 5.503) 30.386 21.310 ( -0.000 -4.755 5.269) 7.097 21.543 ( -0.000 -5.253 2.394) 5.773 21.591 ( 0.000 0.247 -8.905) 8.909 21.873 ( 0.000 6.835 2.229) 7.189 21.881 ( -0.000 -0.883 13.672) 13.700 22.062 ( 0.000 5.119 -7.091) 8.745 22.068 ( 0.000 0.693 -1.147) 1.340 22.314 ( 0.000 0.648 -6.666) 6.697 22.415 ( -0.000 1.020 2.740) 2.924 22.705 ( -0.000 -1.068 1.586) 1.912 22.971 ( -0.000 -2.012 -0.079) 2.014 22.998 ( -0.000 0.398 5.538) 5.553 23.174 ( -0.000 -0.812 9.068) 9.105 23.321 ( -0.000 -3.740 0.085) 3.741 23.389 ( 0.000 1.884 -8.231) 8.444 23.604 ( -0.000 -1.465 4.714) 4.936 23.938 ( -0.000 -2.108 -1.979) 2.891 24.020 ( 0.000 1.847 -3.370) 3.843 24.074 ( 0.000 1.886 0.960) 2.116 24.107 ( 0.000 0.497 -3.387) 3.424 24.641 ( -0.000 -4.032 -4.336) 5.921 25.029 ( 0.000 2.468 1.239) 2.762 25.033 ( -0.000 -0.481 1.881) 1.942 25.279 ( 0.000 0.319 -1.794) 1.822 25.319 ( -0.000 0.019 1.730) 1.730 25.504 ( -0.000 -1.775 -1.581) 2.377 25.882 ( -0.000 0.284 0.860) 0.906 26.010 ( 0.000 0.070 -4.014) 4.015 26.596 ( 0.000 1.485 -0.402) 1.538 26.845 ( -0.000 -0.415 -0.719) 0.830 26.932 ( 0.000 0.368 -0.171) 0.406 27.200 ( -0.000 -0.350 0.562) 0.662 27.697 ( -0.000 -3.416 11.363) 11.865 27.780 ( 0.000 3.655 -11.662) 12.221 28.572 ( 0.000 -0.114 -2.683) 2.686 28.764 ( -0.000 -0.015 2.828) 2.829 29.588 ( -0.000 -4.490 -0.631) 4.534 29.762 ( 0.000 3.622 0.190) 3.627 29.995 ( 0.000 -0.270 -0.925) 0.963 30.008 ( 0.000 0.816 -0.572) 0.997 30.781 ( -0.000 -0.259 -0.287) 0.387 30.933 ( 0.000 0.220 0.123) 0.252 30.981 ( 0.000 0.014 -1.396) 1.396 31.109 ( -0.000 -0.021 1.964) 1.964 31.733 ( -0.000 -0.107 1.036) 1.041 32.229 ( 0.000 0.080 -0.373) 0.381 ======================= Grid point 28 (28/105) ======================= q-point: (-0.45 0.28 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 28.031 1.488 3.718) 28.315 4.181 ( -8.518 2.525 13.695) 16.324 4.812 ( 11.513 3.412 -7.337) 14.072 5.220 ( 8.092 -16.547 -7.347) 19.831 5.269 ( 7.303 2.347 2.541) 8.081 5.782 ( -10.170 -7.691 -6.635) 14.374 6.171 ( 51.700 -22.393 -10.645) 57.338 6.786 ( 35.425 -20.006 -16.536) 43.916 7.842 ( 0.476 0.306 1.054) 1.197 8.122 ( 6.212 -1.451 -3.549) 7.300 8.250 ( -4.537 -0.230 2.629) 5.249 9.299 ( 21.643 -14.334 -17.697) 31.417 9.454 ( 54.800 -14.737 -3.639) 56.863 9.937 ( -4.665 10.959 8.830) 14.827 10.139 ( -23.572 4.180 -6.023) 24.686 10.448 ( -8.680 5.971 -2.122) 10.748 11.007 ( -21.520 -0.262 1.265) 21.559 11.311 ( 4.903 -27.934 8.461) 29.596 11.907 ( 3.237 3.325 1.960) 5.037 12.724 ( -2.561 12.633 1.949) 13.037 12.817 ( -9.558 12.996 20.846) 26.359 13.348 ( -0.078 5.818 21.295) 22.076 13.392 ( 13.397 6.882 3.652) 15.498 13.918 ( 1.839 -11.386 -3.285) 11.992 14.732 ( -2.510 -7.635 -14.512) 16.589 15.094 ( -2.973 7.577 -19.486) 21.118 15.828 ( 5.801 -1.155 11.079) 12.559 16.099 ( 11.508 0.187 7.545) 13.762 16.488 ( -6.525 0.240 7.687) 10.086 16.734 ( -2.559 2.018 1.136) 3.451 17.100 ( -9.315 5.551 8.666) 13.881 17.235 ( -1.993 2.102 -1.007) 3.067 17.532 ( 2.092 -3.194 -2.177) 4.395 17.701 ( 9.408 -4.801 -2.729) 10.909 17.781 ( 1.781 2.696 0.857) 3.343 17.937 ( 0.031 1.333 2.944) 3.232 18.207 ( 11.375 9.777 -6.937) 16.526 18.359 ( 6.326 -12.272 -2.800) 14.087 18.422 ( 12.301 3.274 8.331) 15.213 18.564 ( -2.591 7.549 2.566) 8.384 18.777 ( -10.191 -2.502 2.031) 10.688 18.918 ( 1.469 -2.822 -11.075) 11.523 19.092 ( 10.088 -0.467 -1.113) 10.160 19.345 ( -6.287 5.198 -10.490) 13.289 19.615 ( 5.891 4.782 3.648) 8.419 19.846 ( 0.178 13.341 -9.317) 16.273 20.091 ( 0.195 5.104 4.521) 6.821 20.219 ( -1.244 10.863 -5.246) 12.127 20.536 ( -9.123 -11.827 5.233) 15.827 20.713 ( -15.794 -0.903 3.138) 16.128 20.819 ( 1.593 0.853 -0.664) 1.925 21.029 ( -19.469 3.932 -9.447) 21.994 21.441 ( -3.954 -9.220 3.451) 10.609 21.540 ( -0.252 1.244 -4.900) 5.062 21.792 ( 5.516 1.290 -8.944) 10.587 22.032 ( 3.385 -2.771 -1.242) 4.547 22.106 ( -0.140 -1.149 4.978) 5.111 22.250 ( 1.816 1.373 -0.430) 2.317 22.289 ( 0.063 -3.373 2.565) 4.238 22.461 ( -0.588 0.999 1.843) 2.177 22.622 ( 6.159 1.763 6.991) 9.482 22.727 ( 7.135 -0.072 1.583) 7.309 23.265 ( 0.248 -1.905 0.860) 2.105 23.362 ( 2.781 -1.046 3.396) 4.512 23.472 ( 0.636 -3.400 -2.862) 4.490 23.765 ( -0.754 0.038 -1.036) 1.282 23.949 ( -6.268 -0.116 0.580) 6.296 23.990 ( -5.604 -3.275 -0.612) 6.519 24.038 ( -3.310 -4.182 1.491) 5.538 24.126 ( -12.562 -4.658 -4.151) 14.026 24.446 ( -19.926 1.975 4.321) 20.485 24.524 ( -4.435 -2.243 9.108) 10.375 24.901 ( -0.655 4.628 5.898) 7.525 25.052 ( -3.066 4.088 -9.529) 10.813 25.127 ( -4.713 -3.138 0.740) 5.710 25.313 ( -2.145 0.773 -5.231) 5.707 25.465 ( 1.852 -0.855 -6.323) 6.644 25.506 ( 0.771 -1.831 0.845) 2.159 26.731 ( -3.835 -1.821 -0.257) 4.253 26.774 ( -2.846 1.978 -0.338) 3.483 26.868 ( 0.043 0.713 -2.652) 2.747 26.904 ( -4.041 -1.130 -5.990) 7.313 27.914 ( 8.176 8.251 4.787) 12.563 28.073 ( -2.893 -5.927 5.841) 8.810 28.914 ( 11.000 -7.567 5.460) 14.425 29.176 ( 4.335 4.239 5.043) 7.886 29.773 ( 3.325 -4.273 -1.824) 5.713 29.906 ( 0.707 -0.887 -4.897) 5.026 30.221 ( 6.888 2.754 0.519) 7.436 30.334 ( 5.316 2.834 1.741) 6.271 30.445 ( -2.424 0.664 -7.334) 7.753 30.615 ( -6.977 -1.743 0.549) 7.212 30.953 ( 2.719 -0.676 -0.077) 2.803 31.234 ( -3.888 2.591 3.298) 5.719 31.910 ( 4.433 1.084 -0.253) 4.571 32.139 ( -3.405 -0.652 0.370) 3.486 ======================= Grid point 29 (29/105) ======================= q-point: ( 0.55 -0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( -28.179 -1.237 -1.198) 28.232 4.115 ( 1.232 -4.040 -15.106) 15.685 4.723 ( -3.952 -4.345 11.342) 12.772 5.185 ( -3.752 -3.692 0.037) 5.264 5.557 ( -0.656 13.017 -0.944) 13.067 5.806 ( 6.742 0.586 1.531) 6.938 6.769 ( -35.374 32.027 7.668) 48.330 7.212 ( -31.771 24.062 17.255) 43.430 7.831 ( 2.076 -0.730 2.855) 3.605 8.154 ( -1.617 2.904 3.717) 4.986 8.256 ( 2.804 -0.064 -0.911) 2.949 9.291 ( 8.007 -6.284 -7.402) 12.586 9.573 ( -6.547 -19.118 -18.870) 27.649 9.933 ( -20.778 0.834 14.368) 25.276 10.139 ( -19.179 6.888 6.441) 21.372 10.354 ( 15.690 6.912 10.870) 20.301 11.020 ( 13.382 3.037 -4.905) 14.573 11.777 ( -8.481 20.295 -12.964) 25.532 11.978 ( 1.571 -2.794 -6.700) 7.427 12.358 ( 10.288 -1.297 -3.635) 10.988 12.740 ( -12.974 -1.798 2.323) 13.303 13.272 ( 13.052 -2.133 -23.767) 27.199 13.449 ( -13.417 9.020 -4.227) 16.711 14.034 ( -9.013 -1.089 -1.284) 9.169 14.877 ( 1.369 0.683 12.233) 12.328 15.000 ( 7.826 3.935 15.665) 17.948 15.836 ( -4.325 -0.520 -7.377) 8.567 16.024 ( -14.357 -4.533 -5.361) 15.982 16.413 ( 3.111 -4.015 -7.410) 8.984 16.762 ( 3.519 1.654 -8.138) 9.019 17.060 ( 7.415 -1.034 -4.858) 8.925 17.155 ( 5.092 -2.833 -3.009) 6.558 17.493 ( 2.654 -7.135 8.338) 11.291 17.711 ( -4.392 -6.023 1.605) 7.625 17.753 ( -13.864 1.187 -2.654) 14.166 17.895 ( 0.149 -11.246 0.046) 11.247 17.994 ( -3.528 -0.885 14.824) 15.264 18.208 ( -15.325 -6.274 -5.686) 17.509 18.416 ( 1.094 -7.524 -6.203) 9.813 18.490 ( 4.957 -2.728 1.121) 5.768 18.810 ( -3.770 -9.202 4.740) 11.016 19.039 ( 5.843 -7.769 3.593) 10.364 19.086 ( 3.107 9.139 1.643) 9.792 19.369 ( -0.009 -20.647 -0.531) 20.654 19.476 ( -23.577 13.946 5.730) 27.985 19.611 ( -1.138 0.426 4.815) 4.966 19.966 ( -4.324 -5.867 -0.203) 7.292 20.140 ( 11.524 3.691 17.735) 21.470 20.632 ( 0.686 -2.511 0.668) 2.687 20.755 ( 10.854 3.530 -5.544) 12.689 20.879 ( 11.176 11.650 3.028) 16.425 21.111 ( 12.397 7.199 2.310) 14.521 21.511 ( -0.243 -1.681 1.978) 2.608 21.573 ( 4.836 1.273 -4.692) 6.858 21.753 ( -6.916 -1.224 4.737) 8.472 21.966 ( -2.421 -5.285 4.101) 7.114 22.199 ( 0.443 0.577 -3.587) 3.660 22.239 ( -6.984 5.509 -3.508) 9.562 22.387 ( 2.319 3.314 -4.914) 6.365 22.466 ( -0.160 3.768 0.477) 3.802 22.622 ( -6.888 1.058 -7.020) 9.892 22.726 ( -8.185 -0.031 -3.524) 8.911 23.299 ( 0.612 1.175 -0.082) 1.327 23.348 ( -1.378 -1.837 -4.309) 4.882 23.559 ( 0.841 3.807 2.002) 4.383 23.722 ( -0.404 -2.676 4.579) 5.319 23.942 ( 9.631 -2.891 -0.178) 10.057 23.946 ( 1.474 -3.391 -1.284) 3.914 24.170 ( 10.265 5.510 -1.412) 11.736 24.245 ( 9.932 7.263 3.052) 12.677 24.396 ( 20.752 -1.990 -5.593) 21.585 24.551 ( 6.462 0.727 -8.887) 11.011 24.793 ( 1.917 -5.991 -5.380) 8.277 25.009 ( -0.607 -0.743 11.833) 11.872 25.203 ( 4.241 3.731 -2.731) 6.274 25.311 ( 3.830 1.076 7.564) 8.547 25.476 ( -0.203 0.322 5.522) 5.535 25.546 ( 0.482 2.239 -2.342) 3.275 26.724 ( 2.793 -2.654 -0.734) 3.923 26.770 ( 3.592 1.632 0.718) 4.010 26.840 ( 1.661 -1.695 2.938) 3.777 26.938 ( 3.145 1.799 5.563) 6.639 27.766 ( -7.724 -6.689 -3.195) 10.705 28.205 ( 2.189 7.437 -7.030) 10.465 29.030 ( -8.308 1.189 -6.992) 10.924 29.098 ( -6.218 -0.686 -4.324) 7.605 29.816 ( -2.417 -0.314 2.556) 3.532 29.943 ( 0.458 3.185 4.197) 5.289 30.177 ( -6.758 -1.394 -1.040) 6.978 30.286 ( -5.494 -2.290 -0.995) 6.035 30.434 ( 1.379 -0.463 8.708) 8.829 30.660 ( 7.089 2.862 -1.261) 7.749 30.967 ( -3.329 0.774 -0.383) 3.439 31.177 ( 3.205 -3.041 -2.694) 5.175 31.889 ( -5.001 -1.037 0.431) 5.126 32.152 ( 3.575 0.694 -0.465) 3.672 ======================= Grid point 30 (30/105) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 84.562 -0.000 0.000) 84.562 1.844 ( 94.689 -0.000 0.000) 94.689 2.220 ( 15.828 -0.000 0.000) 15.828 2.736 ( 137.825 -0.000 0.000) 137.825 4.952 ( -9.367 0.000 -0.000) 9.367 5.225 ( 8.892 -0.000 0.000) 8.892 5.303 ( 0.255 -0.000 0.000) 0.255 5.783 ( -0.167 0.000 -0.000) 0.167 5.895 ( -1.802 0.000 -0.000) 1.802 7.811 ( 2.747 -0.000 0.000) 2.747 7.882 ( 2.664 -0.000 0.000) 2.664 8.326 ( 1.825 -0.000 0.000) 1.825 9.702 ( 7.149 -0.000 0.000) 7.149 10.180 ( -9.784 0.000 -0.000) 9.784 10.190 ( -3.167 0.000 -0.000) 3.167 10.491 ( 1.932 -0.000 0.000) 1.932 10.670 ( 10.937 -0.000 0.000) 10.937 11.985 ( 1.630 -0.000 0.000) 1.630 12.101 ( -22.177 0.000 -0.000) 22.177 13.175 ( 12.067 -0.000 0.000) 12.067 13.360 ( -14.508 0.000 -0.000) 14.508 13.385 ( 5.426 -0.000 0.000) 5.426 14.295 ( -3.988 0.000 -0.000) 3.988 14.509 ( -13.129 0.000 -0.000) 13.129 14.543 ( -3.443 0.000 -0.000) 3.443 15.048 ( -0.671 0.000 -0.000) 0.671 15.887 ( -4.388 0.000 -0.000) 4.388 16.068 ( -16.437 0.000 -0.000) 16.437 16.370 ( 3.707 -0.000 0.000) 3.707 16.813 ( -5.112 0.000 -0.000) 5.112 16.897 ( 1.371 -0.000 0.000) 1.371 17.086 ( 6.255 -0.000 0.000) 6.255 17.281 ( 7.632 -0.000 0.000) 7.632 17.390 ( 22.014 -0.000 0.000) 22.014 17.574 ( 18.298 -0.000 0.000) 18.298 17.798 ( -6.458 0.000 -0.000) 6.458 17.906 ( -7.340 0.000 -0.000) 7.340 18.139 ( -0.700 0.000 -0.000) 0.700 18.147 ( 8.180 -0.000 0.000) 8.180 18.313 ( 17.921 -0.000 0.000) 17.921 18.395 ( 3.426 -0.000 0.000) 3.426 18.681 ( -4.269 0.000 -0.000) 4.269 18.943 ( 30.945 -0.000 0.000) 30.945 19.193 ( -7.502 0.000 -0.000) 7.502 19.868 ( 5.903 -0.000 0.000) 5.903 20.130 ( -1.964 0.000 -0.000) 1.964 20.617 ( -4.573 0.000 -0.000) 4.573 20.743 ( -6.856 0.000 -0.000) 6.856 20.779 ( -1.073 0.000 -0.000) 1.073 20.893 ( -1.507 0.000 -0.000) 1.507 21.081 ( -16.768 0.000 -0.000) 16.768 21.148 ( -8.946 0.000 -0.000) 8.946 21.381 ( -6.082 0.000 -0.000) 6.082 21.667 ( -12.296 0.000 -0.000) 12.296 21.793 ( 10.113 -0.000 0.000) 10.113 22.126 ( 3.640 -0.000 0.000) 3.640 22.221 ( -1.584 0.000 -0.000) 1.584 22.240 ( 3.595 -0.000 0.000) 3.595 22.451 ( -8.430 0.000 -0.000) 8.430 22.553 ( -3.785 0.000 -0.000) 3.785 22.627 ( -1.320 0.000 -0.000) 1.320 22.653 ( 11.380 -0.000 0.000) 11.380 23.217 ( 0.699 -0.000 0.000) 0.699 23.282 ( -5.001 0.000 -0.000) 5.001 23.587 ( 5.269 -0.000 0.000) 5.269 23.654 ( 13.278 -0.000 0.000) 13.278 23.752 ( -19.055 0.000 -0.000) 19.055 24.053 ( -4.244 0.000 -0.000) 4.244 24.086 ( -0.478 0.000 -0.000) 0.478 24.172 ( -12.790 0.000 -0.000) 12.790 24.493 ( 0.147 -0.000 0.000) 0.147 25.044 ( 4.813 -0.000 0.000) 4.813 25.168 ( 8.895 -0.000 0.000) 8.895 25.186 ( -2.419 0.000 -0.000) 2.419 25.349 ( 4.346 -0.000 0.000) 4.346 25.381 ( 0.955 -0.000 0.000) 0.955 25.617 ( -21.937 0.000 -0.000) 21.937 25.861 ( -30.700 0.000 -0.000) 30.700 26.715 ( 4.188 -0.000 0.000) 4.188 26.720 ( 6.726 -0.000 0.000) 6.726 26.802 ( -1.904 0.000 -0.000) 1.904 27.027 ( -3.264 0.000 -0.000) 3.264 27.684 ( 15.539 -0.000 0.000) 15.539 28.085 ( -0.969 0.000 -0.000) 0.969 28.310 ( 8.182 -0.000 0.000) 8.182 29.168 ( 1.874 -0.000 0.000) 1.874 29.417 ( 3.724 -0.000 0.000) 3.724 29.839 ( -0.065 0.000 -0.000) 0.065 30.068 ( 5.347 -0.000 0.000) 5.347 30.447 ( -1.382 0.000 -0.000) 1.382 30.485 ( -0.325 0.000 -0.000) 0.325 30.779 ( -3.263 0.000 -0.000) 3.263 30.914 ( -0.632 0.000 -0.000) 0.632 31.428 ( -1.157 0.000 -0.000) 1.157 31.828 ( 1.650 -0.000 0.000) 1.650 32.211 ( -1.093 0.000 -0.000) 1.093 ======================= Grid point 31 (31/105) ======================= q-point: (-0.06 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.299 ( 22.192 -0.000 -5.481) 22.859 3.734 ( -18.650 0.000 -5.426) 19.423 5.047 ( 5.055 -0.000 5.610) 7.552 5.299 ( 0.654 -0.000 6.520) 6.552 5.405 ( 4.965 -0.000 -3.793) 6.249 5.647 ( -1.601 -0.000 4.002) 4.310 7.083 ( 35.547 -0.000 10.727) 37.130 7.381 ( 38.684 -0.000 15.247) 41.581 7.804 ( -0.002 0.000 -3.234) 3.234 8.209 ( -1.495 0.000 -0.406) 1.549 8.248 ( 9.454 -0.000 -4.999) 10.694 9.426 ( -11.023 0.000 0.367) 11.029 9.523 ( -11.868 0.000 7.230) 13.897 9.884 ( -4.424 0.000 2.821) 5.247 10.032 ( -27.406 0.000 10.467) 29.337 10.636 ( -9.959 0.000 -16.763) 19.498 11.304 ( 44.849 -0.000 28.617) 53.201 11.393 ( 25.082 -0.000 -18.716) 31.295 11.440 ( 13.948 -0.000 7.663) 15.914 12.674 ( -15.826 0.000 -11.955) 19.834 12.844 ( 0.791 0.000 -11.057) 11.085 13.184 ( 4.019 -0.000 -3.247) 5.167 13.407 ( -12.515 0.000 -10.628) 16.419 14.017 ( 6.713 -0.000 3.565) 7.601 15.038 ( 1.770 -0.000 22.248) 22.319 15.592 ( -8.548 0.000 3.977) 9.428 15.745 ( 9.788 0.000 -11.758) 15.299 16.050 ( -12.258 0.000 -8.744) 15.057 16.056 ( 22.195 -0.000 9.068) 23.976 17.004 ( -16.535 0.000 -7.960) 18.351 17.026 ( -0.333 -0.000 3.542) 3.558 17.131 ( 4.145 -0.000 -1.988) 4.598 17.239 ( 3.457 -0.000 0.651) 3.518 17.320 ( -1.842 -0.000 6.367) 6.628 17.453 ( -10.578 0.000 -6.924) 12.643 17.880 ( 13.064 -0.000 -10.906) 17.018 18.321 ( 11.954 -0.000 2.829) 12.285 18.440 ( -24.894 0.000 -9.186) 26.534 18.510 ( -2.408 0.000 -11.701) 11.946 18.722 ( -9.367 0.000 -5.814) 11.025 18.950 ( -2.547 -0.000 6.920) 7.374 19.138 ( -23.305 0.000 -23.615) 33.178 19.180 ( 5.635 -0.000 17.260) 18.157 19.329 ( -3.580 -0.000 21.753) 22.046 19.869 ( 10.361 -0.000 -6.431) 12.194 19.943 ( 29.902 -0.000 17.522) 34.658 20.098 ( -0.646 0.000 -11.412) 11.430 20.266 ( -27.667 0.000 14.427) 31.203 20.398 ( 5.065 -0.000 -2.615) 5.700 20.552 ( 1.683 -0.000 3.915) 4.262 20.821 ( -4.338 -0.000 5.032) 6.644 20.945 ( 10.211 -0.000 8.534) 13.307 21.355 ( -2.577 0.000 -5.344) 5.933 21.564 ( -12.162 0.000 -18.994) 22.554 21.709 ( -2.503 0.000 -2.629) 3.630 22.005 ( 2.430 -0.000 -1.017) 2.634 22.141 ( 8.268 -0.000 1.661) 8.433 22.218 ( -7.220 0.000 4.066) 8.286 22.429 ( 5.752 -0.000 6.422) 8.621 22.593 ( 3.583 -0.000 1.907) 4.059 22.845 ( 2.852 0.000 -4.310) 5.168 22.890 ( 0.956 -0.000 2.348) 2.535 23.150 ( 4.245 0.000 -5.645) 7.063 23.349 ( 4.453 0.000 -4.895) 6.617 23.419 ( -12.066 0.000 6.553) 13.731 23.469 ( 7.526 -0.000 -1.306) 7.639 23.758 ( -17.799 0.000 7.690) 19.389 23.794 ( -0.040 -0.000 1.054) 1.055 23.911 ( 7.024 -0.000 -6.525) 9.587 24.039 ( 1.232 -0.000 3.951) 4.139 24.236 ( -8.707 0.000 -6.584) 10.916 24.301 ( -0.635 0.000 -4.168) 4.216 24.920 ( 0.898 0.000 -2.199) 2.375 25.157 ( 3.316 -0.000 2.844) 4.368 25.212 ( -2.159 0.000 1.805) 2.814 25.350 ( -2.250 -0.000 2.790) 3.585 25.535 ( 1.821 -0.000 5.607) 5.895 25.563 ( -0.483 -0.000 1.247) 1.338 26.621 ( -2.148 0.000 -0.732) 2.269 26.804 ( -1.159 0.000 1.118) 1.611 26.874 ( -3.509 -0.000 6.287) 7.200 27.006 ( 0.004 -0.000 3.507) 3.507 27.786 ( -3.013 0.000 -4.018) 5.022 28.090 ( 4.647 0.000 -9.500) 10.575 28.733 ( 3.865 0.000 -4.434) 5.883 29.212 ( 1.898 0.000 -5.613) 5.925 29.857 ( 4.848 -0.000 5.874) 7.616 30.002 ( 1.123 -0.000 3.390) 3.571 30.371 ( 2.309 -0.000 2.300) 3.259 30.437 ( -7.732 0.000 -0.158) 7.734 30.442 ( 4.904 -0.000 -4.666) 6.769 30.580 ( -0.441 -0.000 7.747) 7.759 30.964 ( 0.707 0.000 -1.683) 1.826 31.118 ( -3.089 0.000 -4.101) 5.134 31.984 ( 1.932 -0.000 -0.892) 2.128 32.079 ( -1.808 0.000 0.686) 1.934 ======================= Grid point 32 (32/105) ======================= q-point: (-0.06 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -25.892 0.000 1.426) 25.931 3.861 ( -20.965 0.000 9.765) 23.127 4.508 ( -42.015 0.000 -46.129) 62.395 4.676 ( -7.788 0.000 -24.257) 25.476 5.194 ( -3.343 -0.000 3.878) 5.120 5.244 ( -28.302 0.000 -21.173) 35.345 6.127 ( -3.384 0.000 -15.748) 16.108 6.238 ( -7.831 0.000 -17.330) 19.017 7.562 ( -48.125 0.000 -37.195) 60.823 7.857 ( -8.528 0.000 -15.846) 17.995 8.337 ( 0.728 -0.000 0.656) 0.980 8.722 ( -8.621 0.000 -26.206) 27.587 9.578 ( -6.730 0.000 6.901) 9.640 9.908 ( 10.788 -0.000 5.575) 12.143 10.164 ( -27.615 -0.000 38.253) 47.179 10.498 ( 13.597 -0.000 -10.986) 17.480 10.803 ( -16.103 0.000 4.788) 16.799 11.182 ( 27.170 -0.000 1.047) 27.190 11.657 ( 18.296 -0.000 -5.111) 18.997 12.871 ( 1.149 -0.000 23.134) 23.163 13.108 ( -9.237 -0.000 29.578) 30.986 13.334 ( -10.678 0.000 8.186) 13.455 13.453 ( 15.113 -0.000 3.208) 15.449 13.893 ( 6.989 -0.000 -3.859) 7.984 14.802 ( -10.798 0.000 -5.630) 12.178 15.120 ( -18.569 0.000 1.625) 18.640 15.637 ( 8.146 -0.000 1.539) 8.290 16.021 ( 7.569 -0.000 -4.902) 9.018 16.518 ( 7.419 -0.000 6.917) 10.144 16.789 ( 0.711 -0.000 1.634) 1.782 17.018 ( -1.271 0.000 -9.970) 10.051 17.342 ( 7.579 -0.000 8.721) 11.554 17.397 ( -4.153 0.000 4.168) 5.884 17.519 ( 0.917 -0.000 0.824) 1.233 17.573 ( -20.138 0.000 5.780) 20.951 17.668 ( 12.498 0.000 -13.327) 18.270 17.932 ( -3.114 0.000 -0.778) 3.210 18.030 ( 5.661 -0.000 13.591) 14.723 18.558 ( -20.624 0.000 -15.370) 25.721 18.670 ( -9.917 0.000 -4.502) 10.891 18.768 ( -1.505 -0.000 8.247) 8.383 19.061 ( 0.677 -0.000 4.004) 4.061 19.080 ( -7.483 0.000 -5.458) 9.262 19.406 ( -19.344 0.000 2.101) 19.458 19.640 ( -0.028 0.000 -5.974) 5.974 19.860 ( -18.081 0.000 3.917) 18.501 20.073 ( 12.317 -0.000 21.463) 24.746 20.276 ( -7.541 0.000 -14.049) 15.945 20.495 ( -8.736 -0.000 9.190) 12.679 20.729 ( 23.430 -0.000 3.038) 23.627 21.260 ( 4.544 -0.000 2.000) 4.965 21.483 ( 25.287 -0.000 -18.010) 31.045 21.677 ( -8.616 0.000 -4.343) 9.649 21.887 ( 4.281 -0.000 -1.426) 4.512 21.940 ( -0.275 0.000 -7.736) 7.741 22.037 ( 8.360 -0.000 11.663) 14.350 22.108 ( 23.193 -0.000 0.439) 23.197 22.211 ( 10.970 -0.000 0.783) 10.998 22.337 ( -3.833 0.000 -0.130) 3.836 22.402 ( -1.657 0.000 -6.874) 7.071 22.759 ( 6.207 -0.000 -1.131) 6.309 22.860 ( -0.650 0.000 -7.786) 7.813 23.055 ( -7.168 -0.000 7.911) 10.675 23.146 ( 0.315 -0.000 4.401) 4.412 23.376 ( -0.973 -0.000 7.265) 7.330 23.514 ( 0.429 0.000 -5.280) 5.298 23.816 ( -0.813 0.000 -0.103) 0.819 24.053 ( 1.116 -0.000 -0.874) 1.418 24.177 ( 2.143 0.000 -5.607) 6.002 24.286 ( 8.195 -0.000 -6.283) 10.326 24.380 ( -2.803 -0.000 4.250) 5.091 24.708 ( 9.123 -0.000 8.646) 12.569 25.007 ( 17.941 -0.000 5.192) 18.677 25.098 ( 1.445 0.000 -3.224) 3.533 25.308 ( -0.143 -0.000 1.157) 1.166 25.440 ( 3.284 -0.000 -1.148) 3.479 25.544 ( 6.903 -0.000 -4.906) 8.469 25.601 ( 1.678 0.000 -6.834) 7.037 26.735 ( 1.714 -0.000 1.307) 2.155 26.882 ( 1.598 0.000 -2.276) 2.781 26.892 ( -3.601 0.000 -3.169) 4.797 27.145 ( 4.703 0.000 -5.637) 7.341 27.826 ( -8.435 0.000 1.836) 8.632 27.853 ( 0.807 -0.000 9.292) 9.327 28.509 ( -5.865 0.000 -1.999) 6.196 29.041 ( -4.829 -0.000 6.973) 8.482 29.612 ( -7.479 0.000 -4.308) 8.631 29.924 ( -1.784 0.000 -3.625) 4.040 30.104 ( -8.969 0.000 1.974) 9.183 30.246 ( -6.462 0.000 5.045) 8.199 30.648 ( 1.561 0.000 -7.179) 7.347 30.745 ( 7.111 -0.000 -2.067) 7.406 30.934 ( -0.120 0.000 -0.897) 0.905 31.231 ( 2.077 -0.000 7.254) 7.545 31.859 ( -3.307 0.000 1.119) 3.491 32.175 ( 2.114 -0.000 -0.267) 2.130 ======================= Grid point 33 (33/105) ======================= q-point: ( 0.34 0.16 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 25.562 -0.036 0.649) 25.570 3.644 ( 13.642 -0.488 -1.935) 13.788 4.950 ( -3.289 1.190 0.294) 3.510 5.122 ( 2.802 0.111 -0.943) 2.958 5.561 ( 14.376 8.667 14.817) 22.390 5.870 ( -5.079 -4.580 -8.333) 10.780 6.990 ( 2.855 16.554 35.514) 39.287 7.202 ( 11.166 13.979 19.909) 26.767 7.715 ( 23.875 -13.477 -18.683) 33.176 8.030 ( 5.339 -9.898 -5.701) 12.608 8.314 ( 2.824 0.475 1.255) 3.127 8.501 ( 7.554 -3.792 1.861) 8.655 8.672 ( 3.572 -10.830 -16.870) 20.363 10.115 ( 22.569 10.791 27.743) 37.357 10.564 ( 12.420 19.041 -9.324) 24.572 10.904 ( 8.628 -7.027 -9.822) 14.842 11.020 ( -17.584 -1.580 2.602) 17.845 11.433 ( -0.540 6.637 4.370) 7.965 11.669 ( -12.700 1.496 -0.405) 12.794 12.354 ( 13.392 -2.080 -6.549) 15.052 12.505 ( 1.306 -0.253 0.416) 1.394 12.784 ( 4.696 -8.453 -4.504) 10.667 12.937 ( 14.433 -1.200 3.863) 14.989 13.227 ( 7.561 -24.392 -4.176) 25.876 14.951 ( 8.303 0.012 1.615) 8.458 15.344 ( 11.628 6.615 2.925) 13.694 15.728 ( -1.181 -0.503 -1.498) 1.973 15.863 ( -7.824 -2.987 -2.281) 8.679 16.536 ( -11.326 4.379 0.163) 12.145 16.645 ( -5.619 -4.136 -1.690) 7.179 16.996 ( -11.364 -1.650 -0.269) 11.486 17.128 ( -0.450 -0.413 -0.088) 0.617 17.589 ( -0.623 -0.941 -1.053) 1.543 17.691 ( 5.273 9.398 0.253) 10.779 17.777 ( 6.661 9.993 -1.699) 12.129 17.890 ( -14.067 -2.035 -0.653) 14.228 18.095 ( -2.961 4.936 1.475) 5.942 18.263 ( 3.264 -6.451 -1.561) 7.396 18.448 ( 4.719 -7.520 3.757) 9.641 18.703 ( 5.615 4.865 -8.153) 11.030 18.804 ( -0.793 10.887 5.992) 12.452 18.919 ( 8.176 -2.050 0.740) 8.462 19.144 ( 7.953 11.618 3.226) 14.444 19.408 ( 0.243 -8.029 -5.994) 10.023 19.683 ( 5.880 0.675 -9.642) 11.314 19.812 ( 17.478 -0.643 6.317) 18.595 19.997 ( -1.204 5.851 -5.049) 7.822 20.254 ( -2.003 1.080 3.116) 3.859 20.569 ( 7.900 -10.986 0.659) 13.547 20.647 ( 3.817 -1.829 4.893) 6.470 21.166 ( -17.122 1.940 -0.761) 17.249 21.320 ( -13.369 -7.293 -3.330) 15.588 21.582 ( -5.400 1.839 -0.801) 5.761 21.789 ( -6.959 0.453 0.234) 6.978 21.925 ( 1.980 2.354 -3.312) 4.520 22.050 ( 3.742 -9.298 -0.844) 10.058 22.080 ( -8.375 0.944 0.806) 8.467 22.119 ( -5.303 -2.452 3.570) 6.847 22.317 ( 2.099 3.772 0.343) 4.330 22.406 ( 1.240 -3.691 -0.006) 3.894 22.607 ( -4.095 -0.334 -2.696) 4.914 22.834 ( -12.116 3.557 -8.986) 15.499 22.977 ( 1.235 -2.956 9.771) 10.283 23.311 ( -2.046 2.282 1.403) 3.371 23.430 ( 4.404 0.508 0.812) 4.507 23.761 ( 1.270 2.716 0.494) 3.039 23.968 ( -2.029 4.461 2.340) 5.431 24.052 ( -0.327 -2.448 -1.381) 2.830 24.185 ( 2.253 -1.908 -1.169) 3.175 24.295 ( 3.365 -0.166 0.807) 3.464 24.522 ( -17.920 2.201 2.442) 18.219 24.642 ( -10.049 2.282 0.612) 10.323 24.822 ( -10.282 -3.244 -2.144) 10.993 25.161 ( -5.910 -0.491 1.239) 6.059 25.323 ( 1.714 0.415 -0.256) 1.782 25.466 ( 0.187 0.633 0.465) 0.807 25.600 ( -4.194 -0.339 0.221) 4.214 25.660 ( -9.316 -0.905 0.958) 9.408 26.767 ( 1.244 2.611 -1.257) 3.153 26.849 ( -1.095 -2.613 1.166) 3.064 26.953 ( -0.448 0.322 0.106) 0.562 27.181 ( -2.878 -0.071 -0.440) 2.913 27.715 ( 1.582 2.770 -7.841) 8.466 27.813 ( 1.775 -3.583 8.092) 9.026 28.673 ( 5.471 1.980 2.916) 6.508 28.869 ( 5.086 -1.319 -2.454) 5.799 29.799 ( 8.118 3.440 1.451) 8.935 29.994 ( 6.102 -1.611 -0.939) 6.380 30.003 ( 4.010 -1.520 0.808) 4.363 30.139 ( 6.467 -0.097 -0.596) 6.495 30.716 ( -5.504 -0.638 0.608) 5.574 30.831 ( -4.882 0.401 0.936) 4.987 30.945 ( 0.628 0.191 -0.290) 0.718 31.079 ( -1.405 -0.150 -1.629) 2.156 31.832 ( 4.113 0.109 -0.604) 4.158 32.183 ( -2.326 -0.121 0.315) 2.350 ======================= Grid point 34 (34/105) ======================= q-point: ( 0.34 -0.51 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( -25.332 -1.038 5.656) 25.976 3.869 ( 21.145 0.782 6.634) 22.175 5.066 ( -10.697 -2.333 -4.073) 11.682 5.174 ( 6.978 4.548 -7.822) 11.426 5.432 ( -8.509 0.517 2.500) 8.884 5.594 ( 7.843 1.245 -1.075) 8.013 7.145 ( -47.408 13.371 -4.803) 49.491 7.453 ( -26.293 12.730 -7.383) 30.131 7.831 ( 2.215 -4.142 1.903) 5.068 7.975 ( 18.134 -7.043 -0.976) 19.478 8.494 ( -28.384 4.320 3.329) 28.903 9.069 ( 16.864 -1.139 -1.192) 16.945 9.596 ( 20.326 3.514 -5.982) 21.477 9.642 ( 22.211 -5.714 -3.500) 23.200 10.496 ( 6.824 6.444 -6.190) 11.243 10.592 ( 0.379 -11.157 -5.691) 12.530 11.004 ( -62.483 11.163 -5.190) 63.684 11.529 ( -18.032 25.597 13.101) 33.940 11.861 ( 13.030 -4.261 -3.975) 14.274 12.438 ( 17.118 -26.998 23.163) 39.477 12.797 ( -2.278 9.425 13.190) 16.371 13.245 ( 6.878 -17.962 7.860) 20.777 13.729 ( -15.623 -1.728 0.875) 15.742 13.850 ( 8.369 12.312 -4.225) 15.475 14.736 ( -3.041 8.931 -18.601) 20.857 15.017 ( 4.653 -9.202 -19.332) 21.910 16.012 ( -10.919 -1.458 9.785) 14.734 16.177 ( 5.338 -0.953 4.973) 7.357 16.451 ( -6.124 4.808 12.418) 14.657 16.683 ( 7.152 -2.044 1.178) 7.531 16.948 ( 2.862 -3.210 5.669) 7.116 17.130 ( 7.132 -5.687 4.534) 10.187 17.499 ( 3.442 3.356 -1.210) 4.957 17.625 ( 9.050 -3.763 -4.343) 10.720 17.893 ( -5.290 8.734 -5.856) 11.771 18.125 ( 4.065 -4.624 -1.848) 6.428 18.212 ( -14.784 7.809 5.472) 17.592 18.439 ( 2.582 9.082 4.125) 10.304 18.518 ( 1.556 -10.724 1.762) 10.979 18.619 ( -0.428 -0.996 0.736) 1.310 18.718 ( -5.465 -0.201 -11.920) 13.114 18.891 ( 5.609 1.579 -14.432) 15.564 19.275 ( -3.555 1.349 4.691) 6.038 19.330 ( -12.237 -1.865 0.921) 12.412 19.743 ( -3.816 -6.011 11.756) 13.744 19.883 ( -4.070 -7.991 -0.717) 8.996 19.938 ( 17.886 5.772 7.727) 20.321 20.150 ( 6.539 -7.267 -11.216) 14.878 20.413 ( 6.066 1.416 0.014) 6.229 20.447 ( 5.243 -2.296 4.467) 7.261 20.736 ( 4.639 5.719 -13.369) 15.263 20.880 ( -2.989 -11.566 -10.400) 15.838 21.405 ( 0.155 8.897 4.899) 10.158 21.528 ( 0.658 -3.020 -2.247) 3.822 21.923 ( -6.314 3.008 0.611) 7.021 22.047 ( 2.521 1.036 -0.495) 2.770 22.175 ( -7.727 5.589 0.085) 9.537 22.245 ( -0.510 -0.410 3.430) 3.492 22.295 ( 1.810 0.902 2.094) 2.911 22.424 ( 2.779 -6.258 -1.158) 6.944 22.811 ( -12.478 0.434 7.834) 14.740 22.923 ( -9.687 -0.703 3.337) 10.270 23.278 ( -0.819 0.787 -0.730) 1.350 23.356 ( 8.273 1.191 1.067) 8.426 23.436 ( -0.598 0.649 3.547) 3.655 23.579 ( 17.981 0.460 -7.170) 19.363 23.758 ( 1.298 2.627 -3.187) 4.329 23.839 ( 3.888 -1.733 -3.895) 5.770 24.020 ( 1.289 8.600 0.376) 8.704 24.065 ( -1.775 0.543 2.869) 3.417 24.313 ( -1.006 -0.947 5.321) 5.497 24.440 ( 4.535 -2.174 12.455) 13.432 24.916 ( 2.352 -0.048 -2.339) 3.317 24.947 ( 1.177 -5.261 -4.944) 7.315 25.153 ( -4.094 0.953 -2.897) 5.105 25.250 ( 4.254 -0.806 -4.534) 6.269 25.506 ( -1.137 1.167 -2.488) 2.974 25.515 ( -0.817 0.427 -1.862) 2.078 26.676 ( 1.543 1.633 -0.564) 2.317 26.715 ( 2.289 -1.644 -1.536) 3.209 26.845 ( 1.777 2.542 -3.600) 4.752 26.875 ( -0.290 -2.192 -3.211) 3.899 28.002 ( 4.500 6.433 5.214) 9.425 28.051 ( -6.076 -8.529 5.998) 12.068 29.073 ( -5.352 7.637 6.639) 11.447 29.236 ( -1.384 -5.145 6.200) 8.175 29.832 ( -2.831 2.956 -3.640) 5.478 29.903 ( 0.774 -0.581 -5.052) 5.144 30.325 ( -3.833 -0.879 -2.452) 4.635 30.388 ( 3.413 -0.201 -5.077) 6.121 30.433 ( -5.160 -2.699 1.301) 5.967 30.493 ( 5.658 1.660 0.250) 5.901 31.021 ( -4.245 1.379 1.099) 4.597 31.148 ( 5.014 -2.150 2.630) 6.057 31.995 ( -4.362 -0.562 0.018) 4.398 32.067 ( 4.065 0.429 0.099) 4.089 ======================= Grid point 35 (35/105) ======================= q-point: ( 0.34 -0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -26.986 -0.080 0.617) 26.993 3.515 ( -27.203 9.078 1.102) 28.698 3.919 ( -32.187 46.655 35.471) 66.865 4.432 ( -30.744 49.326 26.883) 64.039 4.989 ( 6.238 0.185 2.975) 6.913 5.198 ( -2.608 -2.370 -0.935) 3.646 5.957 ( -33.567 65.684 40.259) 84.035 6.200 ( -19.390 17.556 7.589) 27.235 6.372 ( 1.764 5.130 19.977) 20.700 7.836 ( -0.311 1.998 -1.763) 2.683 8.099 ( 1.556 -1.850 12.333) 12.567 8.327 ( -1.349 0.329 -0.281) 1.417 9.752 ( 2.777 2.955 -21.897) 22.270 9.757 ( -1.935 -19.197 -31.159) 36.649 10.479 ( 0.524 -4.595 5.261) 7.005 10.924 ( 1.842 20.006 8.530) 21.827 11.561 ( 11.232 -7.749 0.381) 13.651 11.641 ( 11.963 8.587 -10.832) 18.281 11.945 ( 3.214 -1.949 -0.044) 3.759 12.537 ( -7.556 -16.154 4.580) 18.413 12.677 ( -8.728 -14.721 -6.735) 18.392 12.778 ( -3.863 -20.509 -0.986) 20.893 13.780 ( 8.176 -1.993 -30.773) 31.903 13.919 ( 2.633 -14.303 -35.622) 38.477 14.847 ( 0.757 6.668 -3.862) 7.743 15.209 ( 4.202 7.664 -0.162) 8.742 15.603 ( -7.414 -6.041 0.613) 9.583 15.986 ( 6.597 -4.020 3.854) 8.634 16.677 ( 4.918 1.716 12.329) 13.384 16.874 ( 1.090 3.574 -0.941) 3.853 17.025 ( -4.407 2.122 -7.594) 9.033 17.269 ( -5.012 -1.909 0.633) 5.400 17.468 ( -3.161 3.812 -1.358) 5.135 17.524 ( 9.230 -2.909 10.590) 14.346 17.722 ( -1.508 1.142 6.965) 7.217 17.900 ( -4.786 -2.187 4.090) 6.664 17.908 ( -1.230 0.987 -3.877) 4.185 18.055 ( -8.053 -0.292 3.514) 8.791 18.250 ( -0.810 -0.091 0.951) 1.252 18.499 ( -2.773 2.661 0.834) 3.933 18.550 ( 1.044 16.527 7.287) 18.093 18.672 ( -13.018 -0.336 18.563) 22.675 18.999 ( -8.078 0.052 1.343) 8.189 19.199 ( -3.562 2.999 2.413) 5.244 19.714 ( 6.240 -18.621 -12.667) 23.369 19.913 ( -6.103 6.898 -1.426) 9.320 20.081 ( -4.020 -6.089 -10.862) 13.085 20.453 ( 14.388 -12.199 -18.007) 26.079 20.830 ( 3.488 2.259 -5.523) 6.912 20.893 ( 7.957 5.203 -4.843) 10.669 20.994 ( -4.350 -0.491 11.749) 12.538 21.525 ( 7.351 -5.019 6.969) 11.304 21.608 ( 4.510 2.001 5.262) 7.213 21.651 ( 0.968 4.938 -1.972) 5.405 21.755 ( -1.387 -9.022 3.860) 9.911 21.878 ( -3.348 -10.335 3.475) 11.406 22.023 ( 3.540 -4.176 10.399) 11.752 22.237 ( 3.208 0.999 2.841) 4.400 22.440 ( 6.007 -1.765 0.310) 6.268 22.459 ( -0.685 -2.394 -0.830) 2.625 22.564 ( 0.315 -1.574 0.050) 1.606 22.681 ( -0.374 -5.710 9.106) 10.754 23.146 ( -5.823 -3.144 -0.032) 6.617 23.281 ( -3.059 11.099 -0.006) 11.513 23.589 ( 9.886 -2.633 -5.113) 11.437 23.723 ( -4.868 6.822 3.256) 8.991 23.921 ( 1.111 -4.796 -4.600) 6.738 23.986 ( -1.218 1.765 -0.864) 2.312 24.101 ( 0.412 -2.131 -0.176) 2.178 24.509 ( -0.803 2.389 -2.034) 3.239 24.580 ( 3.405 15.218 1.461) 15.662 24.910 ( -2.340 -1.334 -7.577) 8.042 25.150 ( 2.968 -2.376 -1.372) 4.042 25.190 ( 3.449 -1.594 -5.514) 6.696 25.374 ( -0.393 1.689 9.091) 9.255 25.468 ( -0.263 4.825 -0.015) 4.832 25.668 ( 18.427 0.268 -0.989) 18.456 25.943 ( 27.476 5.516 -2.579) 28.142 26.693 ( -4.949 0.031 -0.810) 5.015 26.804 ( -4.669 2.340 1.891) 5.554 26.896 ( 2.168 1.583 0.325) 2.704 27.080 ( 2.590 -0.960 6.050) 6.650 27.557 ( -8.969 -5.548 -0.366) 10.552 28.132 ( 0.410 4.940 -6.515) 8.186 28.440 ( -9.596 4.579 1.523) 10.741 29.047 ( -1.461 -3.218 -4.787) 5.950 29.625 ( -3.487 7.602 -0.108) 8.365 29.816 ( -4.065 -4.026 1.785) 5.993 29.966 ( -3.261 1.488 -0.732) 3.658 30.098 ( -6.382 -1.192 -2.792) 7.068 30.493 ( 0.256 -1.616 8.278) 8.438 30.856 ( 4.197 2.588 0.609) 4.968 30.912 ( -0.039 -0.387 0.737) 0.833 31.333 ( 1.436 -2.643 -3.865) 4.898 31.763 ( -2.694 -2.758 0.423) 3.878 32.232 ( 1.344 1.065 -0.593) 1.815 ======================= Grid point 36 (36/105) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( 27.615 3.092 0.000) 27.788 4.338 ( -20.597 -1.778 -0.000) 20.674 4.714 ( 35.819 -11.611 0.000) 37.654 4.796 ( 22.764 -14.481 -0.000) 26.980 5.298 ( 24.354 -5.938 0.000) 25.067 5.360 ( 5.378 2.685 0.000) 6.011 6.005 ( 24.420 -1.461 0.000) 24.463 6.314 ( 37.980 -9.686 0.000) 39.196 7.875 ( 13.001 -0.510 0.000) 13.011 8.108 ( 9.642 1.196 0.000) 9.716 8.314 ( -2.048 1.409 0.000) 2.486 8.365 ( 95.543 -21.377 0.000) 97.905 9.547 ( -9.526 5.898 0.000) 11.204 9.853 ( -22.426 -10.341 -0.000) 24.696 10.065 ( -16.724 -0.634 -0.000) 16.736 10.654 ( -6.455 -32.939 -0.000) 33.566 10.876 ( 5.446 21.092 0.000) 21.783 11.132 ( -10.435 4.037 -0.000) 11.188 12.073 ( -3.764 0.111 -0.000) 3.765 12.977 ( 3.755 4.350 0.000) 5.747 13.465 ( 3.921 19.401 0.000) 19.793 13.491 ( -13.973 -8.319 -0.000) 16.262 13.714 ( 3.510 17.306 0.000) 17.658 13.764 ( -6.221 4.376 0.000) 7.606 14.371 ( -6.664 -6.272 -0.000) 9.151 14.947 ( -5.301 2.245 -0.000) 5.757 15.979 ( 10.812 -0.621 0.000) 10.830 16.144 ( 11.094 -4.751 0.000) 12.069 16.550 ( -8.879 -3.642 -0.000) 9.597 16.640 ( 4.543 -3.266 -0.000) 5.595 17.267 ( 5.615 -7.227 -0.000) 9.152 17.312 ( -2.754 1.821 0.000) 3.302 17.391 ( -9.122 3.503 -0.000) 9.772 17.643 ( 8.448 -21.978 -0.000) 23.546 17.784 ( -6.789 2.496 -0.000) 7.233 17.839 ( -5.442 1.029 -0.000) 5.539 18.022 ( 16.353 -2.209 0.000) 16.502 18.277 ( 9.105 11.390 0.000) 14.582 18.626 ( 13.747 2.738 0.000) 14.017 18.690 ( 4.783 -6.997 -0.000) 8.476 18.795 ( -1.995 8.660 0.000) 8.887 18.992 ( 7.002 4.299 0.000) 8.217 19.166 ( -17.344 6.111 -0.000) 18.389 19.260 ( 3.377 1.081 0.000) 3.546 19.766 ( -9.771 7.370 0.000) 12.239 19.991 ( 21.470 20.175 0.000) 29.462 20.252 ( -7.201 -3.344 -0.000) 7.940 20.308 ( -12.022 -1.907 -0.000) 12.173 20.424 ( -10.178 -0.878 -0.000) 10.216 20.651 ( -0.791 -0.163 -0.000) 0.807 20.869 ( -20.205 -6.416 -0.000) 21.199 20.941 ( 0.647 -7.306 -0.000) 7.335 21.404 ( 2.971 -2.507 -0.000) 3.887 21.584 ( 10.834 -5.632 -0.000) 12.211 21.633 ( -11.589 22.781 0.000) 25.559 21.979 ( 0.576 -2.374 -0.000) 2.443 22.056 ( -4.847 -3.742 -0.000) 6.124 22.242 ( 0.547 -1.099 -0.000) 1.228 22.390 ( -2.930 2.417 0.000) 3.798 22.485 ( 0.245 -1.558 -0.000) 1.577 22.706 ( 9.477 -1.081 0.000) 9.539 22.721 ( 4.112 0.038 0.000) 4.112 23.245 ( 0.579 -0.047 0.000) 0.581 23.336 ( 4.703 -4.294 -0.000) 6.368 23.397 ( 1.182 -1.423 -0.000) 1.850 23.759 ( -3.231 -7.899 -0.000) 8.534 23.831 ( -2.166 2.716 0.000) 3.473 23.953 ( -10.207 0.209 -0.000) 10.210 24.026 ( -11.143 -1.963 -0.000) 11.314 24.060 ( 0.939 -0.633 -0.000) 1.132 24.448 ( -3.058 -5.506 -0.000) 6.298 24.569 ( -17.802 -1.522 -0.000) 17.867 25.056 ( -5.076 2.689 0.000) 5.744 25.064 ( -1.348 -1.243 -0.000) 1.834 25.121 ( -5.250 8.569 0.000) 10.050 25.306 ( -3.119 1.440 0.000) 3.435 25.339 ( 7.927 -0.763 0.000) 7.963 25.460 ( -0.866 -3.527 -0.000) 3.631 26.701 ( -3.520 -1.394 -0.000) 3.786 26.791 ( -3.671 0.232 -0.000) 3.678 26.807 ( -4.017 -0.613 -0.000) 4.064 26.857 ( 1.473 0.815 0.000) 1.683 28.035 ( -3.639 -3.630 -0.000) 5.140 28.142 ( 9.965 7.884 0.000) 12.707 28.823 ( 11.693 -7.202 -0.000) 13.733 29.297 ( 5.344 2.480 0.000) 5.891 29.668 ( 4.702 -4.257 -0.000) 6.343 29.839 ( 0.034 -0.061 -0.000) 0.070 30.284 ( 4.592 1.899 0.000) 4.969 30.348 ( -2.809 0.383 -0.000) 2.834 30.450 ( 3.026 4.259 0.000) 5.225 30.593 ( -6.285 -0.999 -0.000) 6.364 30.936 ( 2.641 -0.763 0.000) 2.749 31.312 ( -4.333 1.592 -0.000) 4.616 31.928 ( 3.973 0.810 0.000) 4.055 32.131 ( -3.339 -0.414 -0.000) 3.364 ======================= Grid point 37 (37/105) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( -25.578 -0.388 -1.240) 25.610 3.824 ( -1.135 -1.071 -6.140) 6.335 4.855 ( -2.870 -1.973 6.729) 7.577 5.149 ( -5.333 -1.252 1.758) 5.753 5.598 ( 2.796 -3.341 -2.049) 4.815 5.889 ( 7.275 5.736 -1.615) 9.404 7.311 ( -11.038 6.355 -3.449) 13.195 7.614 ( -8.583 3.584 -5.592) 10.852 8.023 ( 5.232 5.809 -0.703) 7.849 8.207 ( 2.123 2.676 -5.886) 6.806 8.484 ( -14.152 2.050 6.607) 15.753 8.793 ( -17.399 -0.855 -8.216) 19.260 9.080 ( -9.460 6.737 0.276) 11.617 9.978 ( 1.673 -20.693 10.735) 23.372 10.110 ( 10.169 -10.645 11.239) 18.521 10.567 ( 7.754 -7.159 -16.144) 19.288 11.327 ( -23.283 19.301 24.180) 38.720 11.613 ( -7.995 -12.311 -8.522) 16.974 11.917 ( 10.112 21.621 -22.607) 32.875 12.370 ( -1.925 7.220 -1.302) 7.585 12.732 ( 4.663 -4.877 -19.744) 20.865 13.012 ( -3.706 11.005 -0.142) 11.614 13.500 ( -11.067 -7.367 -17.963) 22.347 13.810 ( -12.414 14.951 4.456) 19.938 15.105 ( -4.974 -5.947 13.313) 15.406 15.396 ( -0.016 5.426 7.079) 8.919 15.661 ( -0.970 -2.659 -8.429) 8.891 15.890 ( -17.451 1.366 0.492) 17.511 16.297 ( 7.814 -2.965 -3.291) 8.982 16.637 ( 2.371 4.560 -1.591) 5.380 17.019 ( 4.415 7.328 -4.478) 9.656 17.084 ( 3.978 0.597 -0.940) 4.131 17.389 ( 0.111 -13.514 5.443) 14.570 17.509 ( 1.001 -10.649 -0.396) 10.703 17.657 ( 4.720 -1.578 -6.398) 8.106 17.757 ( -16.000 -5.561 3.668) 17.332 18.027 ( -8.237 -16.140 -3.232) 18.407 18.305 ( 8.108 2.554 12.723) 15.302 18.395 ( -0.266 -1.962 7.261) 7.526 18.482 ( 5.760 -4.259 5.521) 9.045 18.648 ( -8.291 1.434 9.787) 12.907 18.763 ( 8.889 -12.897 -4.903) 16.413 19.337 ( -11.089 2.002 9.556) 14.775 19.402 ( -7.004 2.727 3.804) 8.424 19.628 ( 10.588 -1.099 7.868) 13.237 19.806 ( -18.529 1.872 8.445) 20.449 20.038 ( -4.261 8.324 -1.000) 9.404 20.275 ( -0.727 -1.974 -13.103) 13.270 20.718 ( -5.703 -4.218 3.217) 7.789 20.848 ( 15.810 6.481 16.797) 23.961 21.132 ( 15.094 17.132 -7.679) 24.089 21.292 ( 2.224 6.557 -3.313) 7.675 21.391 ( 2.806 -5.926 -3.126) 7.263 21.517 ( 9.586 -2.186 -1.022) 9.885 21.745 ( 3.800 -2.797 1.968) 5.112 22.019 ( -3.110 -2.277 6.158) 7.266 22.135 ( -1.972 -0.871 -0.602) 2.238 22.276 ( 4.775 -1.499 -6.339) 8.076 22.285 ( -0.265 0.327 -1.743) 1.793 22.464 ( -3.106 7.635 -5.380) 9.843 22.640 ( -8.670 3.618 3.177) 9.917 22.668 ( -3.064 1.867 -0.759) 3.668 23.221 ( -1.941 0.565 -6.033) 6.362 23.300 ( -2.606 -1.379 0.028) 2.949 23.442 ( 0.499 -9.735 -4.583) 10.771 23.779 ( -2.199 -0.063 0.889) 2.373 23.875 ( 1.823 -2.311 0.293) 2.958 24.027 ( 8.656 3.248 4.918) 10.472 24.188 ( 11.695 2.761 -7.374) 14.099 24.235 ( 17.460 0.160 -0.579) 17.471 24.312 ( 10.859 -0.780 -5.165) 12.050 24.397 ( 9.184 -0.250 -8.168) 12.293 24.692 ( -2.521 -0.889 3.391) 4.318 25.203 ( -0.985 2.521 0.415) 2.738 25.250 ( -0.402 -0.124 6.680) 6.694 25.472 ( 9.783 1.737 3.124) 10.416 25.507 ( -0.827 0.181 -2.322) 2.471 25.566 ( -0.370 -0.541 3.229) 3.295 26.659 ( 2.005 -2.694 0.289) 3.370 26.842 ( 3.400 1.461 2.552) 4.495 26.871 ( 2.373 -1.131 3.002) 3.990 27.074 ( 3.270 0.814 4.106) 5.312 27.639 ( -5.679 -2.426 0.567) 6.202 28.129 ( 0.941 4.838 -11.671) 12.669 28.807 ( -2.508 -4.492 -6.942) 8.641 29.051 ( -8.472 2.823 -4.038) 9.800 29.872 ( -5.404 -1.614 3.400) 6.585 30.045 ( 0.950 0.504 0.334) 1.127 30.158 ( -6.060 2.129 0.256) 6.428 30.245 ( -7.442 -2.072 1.407) 7.852 30.629 ( 2.924 1.601 6.350) 7.172 30.680 ( 7.032 1.098 0.393) 7.128 30.945 ( -1.206 -0.855 -2.023) 2.506 31.078 ( 0.689 -0.790 -2.157) 2.398 31.887 ( -4.702 -0.553 0.898) 4.819 32.151 ( 3.211 0.446 -0.720) 3.320 ======================= Grid point 38 (38/105) ======================= q-point: (-0.27 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 0.000 -2.030 -8.176) 8.424 3.207 ( -0.000 -3.723 -5.289) 6.468 3.759 ( 0.000 -27.471 -63.505) 69.192 4.491 ( 0.000 -23.546 -70.014) 73.867 5.104 ( 0.000 -0.408 -3.382) 3.407 5.115 ( -0.000 -1.331 -0.938) 1.629 5.567 ( -0.000 -49.949 -71.128) 86.914 6.190 ( 0.000 -3.627 -11.834) 12.377 6.791 ( 0.000 -4.972 -31.107) 31.502 7.807 ( 0.000 -0.661 -5.388) 5.428 8.252 ( -0.000 -0.312 3.720) 3.733 8.805 ( 0.000 24.560 -12.516) 27.566 9.332 ( -0.000 5.342 15.331) 16.235 9.373 ( -0.000 21.386 39.547) 44.959 10.464 ( -0.000 -11.506 12.699) 17.137 10.605 ( -0.000 -25.176 -2.636) 25.314 10.997 ( -0.000 -20.522 0.277) 20.523 11.926 ( 0.000 2.277 -5.898) 6.322 12.025 ( 0.000 -2.152 -4.303) 4.811 12.344 ( -0.000 11.513 58.756) 59.873 12.847 ( 0.000 20.493 6.364) 21.458 13.153 ( -0.000 0.726 30.334) 30.343 13.196 ( 0.000 29.688 4.243) 29.990 13.796 ( 0.000 20.620 6.983) 21.770 14.701 ( -0.000 -5.251 -0.973) 5.341 14.983 ( -0.000 -4.879 4.565) 6.682 15.781 ( 0.000 7.173 -4.051) 8.238 16.155 ( 0.000 -0.746 -2.296) 2.414 16.671 ( -0.000 -4.741 2.553) 5.385 16.900 ( 0.000 1.144 -5.182) 5.307 17.088 ( 0.000 -7.714 -14.050) 16.029 17.183 ( 0.000 2.931 3.706) 4.725 17.444 ( -0.000 -3.212 -0.943) 3.347 17.501 ( -0.000 -6.621 8.351) 10.657 17.771 ( -0.000 -12.223 -4.828) 13.141 18.008 ( 0.000 0.824 -13.243) 13.269 18.052 ( 0.000 4.195 -8.911) 9.849 18.155 ( -0.000 1.330 8.778) 8.878 18.270 ( 0.000 4.704 -20.397) 20.933 18.289 ( -0.000 -25.390 -0.403) 25.393 18.486 ( 0.000 -1.488 -10.020) 10.130 18.762 ( -0.000 -3.858 -6.340) 7.421 18.997 ( 0.000 -0.956 -10.123) 10.169 19.110 ( -0.000 -0.554 5.815) 5.841 19.504 ( -0.000 5.367 16.817) 17.653 19.767 ( 0.000 7.352 10.999) 13.230 19.923 ( -0.000 0.597 33.942) 33.947 20.211 ( 0.000 -0.819 -9.952) 9.986 20.393 ( -0.000 -8.349 15.277) 17.409 21.247 ( 0.000 0.487 -16.519) 16.526 21.386 ( -0.000 -5.973 7.304) 9.435 21.395 ( 0.000 13.065 -0.381) 13.071 21.607 ( 0.000 12.606 1.205) 12.663 21.951 ( 0.000 -1.379 -12.281) 12.358 22.044 ( 0.000 0.263 -7.236) 7.240 22.094 ( 0.000 5.334 -1.774) 5.621 22.097 ( 0.000 7.366 -1.998) 7.632 22.245 ( -0.000 1.277 15.945) 15.996 22.472 ( 0.000 0.352 0.420) 0.548 22.723 ( 0.000 4.824 -2.325) 5.355 22.822 ( 0.000 1.063 -14.913) 14.951 23.002 ( -0.000 -8.339 -11.890) 14.523 23.137 ( -0.000 1.961 4.122) 4.565 23.219 ( 0.000 6.910 -7.562) 10.244 23.545 ( -0.000 -5.638 16.902) 17.817 23.689 ( 0.000 -3.859 -10.732) 11.405 23.868 ( 0.000 7.463 10.706) 13.050 23.893 ( -0.000 -1.028 1.033) 1.457 24.107 ( -0.000 -0.646 0.610) 0.888 24.233 ( -0.000 -3.881 8.918) 9.726 24.368 ( -0.000 -10.159 -5.957) 11.777 24.989 ( 0.000 3.509 -5.531) 6.550 25.143 ( -0.000 -2.586 -2.013) 3.277 25.152 ( -0.000 2.249 4.586) 5.108 25.384 ( -0.000 -4.109 -2.387) 4.752 25.521 ( 0.000 -0.160 -1.504) 1.513 25.810 ( 0.000 2.387 2.784) 3.667 26.015 ( -0.000 -4.909 4.312) 6.534 26.624 ( 0.000 2.184 -0.747) 2.308 26.776 ( 0.000 -1.514 -3.199) 3.539 26.927 ( 0.000 0.494 -0.977) 1.095 27.188 ( 0.000 0.002 -2.053) 2.053 27.613 ( 0.000 1.703 -8.239) 8.413 27.887 ( -0.000 -1.855 11.027) 11.182 28.414 ( 0.000 -1.376 -7.121) 7.252 28.937 ( -0.000 1.275 8.344) 8.441 29.468 ( -0.000 -4.682 -1.225) 4.840 29.854 ( 0.000 3.506 1.624) 3.864 29.934 ( 0.000 -1.480 -2.625) 3.013 29.994 ( 0.000 -0.215 -1.595) 1.610 30.675 ( 0.000 -0.127 -7.164) 7.165 30.903 ( 0.000 -0.848 -3.303) 3.410 30.937 ( 0.000 0.443 -0.500) 0.668 31.260 ( -0.000 0.954 7.468) 7.529 31.772 ( 0.000 1.100 1.382) 1.766 32.221 ( -0.000 -0.351 -0.053) 0.355 ======================= Grid point 39 (39/105) ======================= q-point: ( 0.13 0.37 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.274 ( 20.619 1.178 1.490) 20.707 3.644 ( -14.387 -0.180 -2.131) 14.545 5.124 ( 9.776 3.455 -2.111) 10.582 5.316 ( 6.501 -0.131 -3.390) 7.333 5.442 ( -5.925 1.947 4.608) 7.754 5.680 ( -8.532 -3.661 1.713) 9.441 7.357 ( 13.181 5.895 7.670) 16.350 7.675 ( 13.840 1.817 6.701) 15.484 7.850 ( -0.377 -2.661 7.543) 8.007 8.018 ( -8.422 -7.499 -1.975) 11.448 8.440 ( 5.876 12.362 7.198) 15.465 9.089 ( 1.317 -12.888 -5.847) 14.213 9.783 ( 16.176 -7.994 -17.252) 24.964 10.032 ( -6.661 11.021 -5.828) 14.135 10.075 ( -9.236 17.564 12.776) 23.601 10.354 ( -2.725 5.426 -11.700) 13.182 11.175 ( -7.531 -13.224 9.104) 17.733 11.668 ( 11.747 7.793 4.324) 14.745 11.865 ( 0.718 5.937 18.737) 19.668 12.210 ( 7.725 -24.598 -6.981) 26.711 12.521 ( -11.307 -16.486 -4.416) 20.473 13.212 ( 9.169 2.281 -0.949) 9.496 13.399 ( 1.183 12.383 -0.431) 12.447 13.967 ( 3.970 -7.534 2.509) 8.878 15.373 ( 9.404 -4.598 7.766) 13.034 15.499 ( -3.125 2.005 -4.030) 5.480 15.660 ( 1.815 7.404 -8.224) 11.214 16.054 ( -6.935 9.797 2.707) 12.305 16.262 ( 20.817 -7.132 11.659) 24.903 16.615 ( -13.119 -7.495 -13.373) 20.178 16.988 ( 3.634 -5.653 0.660) 6.753 17.183 ( 3.002 3.302 -4.482) 6.325 17.336 ( -5.859 0.458 -1.567) 6.082 17.435 ( 6.472 9.711 2.965) 12.041 17.660 ( 3.592 0.854 -4.497) 5.819 17.800 ( -0.872 18.582 9.987) 21.114 18.207 ( -10.958 -0.754 -8.279) 13.754 18.252 ( -3.244 2.679 -3.905) 5.741 18.372 ( -5.025 0.223 -0.832) 5.098 18.658 ( 2.039 5.320 -3.723) 6.806 18.775 ( 6.393 -5.342 -6.603) 10.631 18.974 ( 5.307 0.860 -5.113) 7.419 19.459 ( 3.927 -2.554 6.801) 8.258 19.574 ( -9.883 -7.590 -2.499) 12.709 19.649 ( -0.700 -4.567 2.952) 5.483 19.938 ( 6.502 -5.990 2.954) 9.321 20.103 ( 11.452 -3.824 3.251) 12.503 20.362 ( -5.972 -7.097 3.361) 9.866 20.409 ( 3.301 5.824 -8.318) 10.677 20.878 ( -26.665 10.607 7.870) 29.757 21.008 ( 1.344 0.090 8.600) 8.705 21.073 ( 1.976 -1.916 0.256) 2.764 21.109 ( -4.614 -1.971 -7.082) 8.679 21.329 ( -1.231 3.684 0.090) 3.885 21.723 ( -2.337 5.708 -1.866) 6.444 21.960 ( -0.634 -1.297 0.341) 1.484 22.171 ( 1.503 -1.248 2.496) 3.170 22.265 ( -1.511 1.114 -3.411) 3.894 22.463 ( 5.738 -5.353 0.610) 7.871 22.583 ( 9.848 0.012 -0.182) 9.849 22.635 ( -2.147 -15.038 -1.175) 15.236 22.803 ( 0.622 0.060 -1.697) 1.808 23.219 ( 2.102 3.584 4.001) 5.768 23.242 ( 5.248 0.490 -2.501) 5.835 23.522 ( 2.403 3.271 -0.808) 4.138 23.648 ( -9.789 7.689 1.772) 12.573 23.811 ( -7.158 0.813 0.496) 7.221 23.856 ( -3.583 0.535 1.448) 3.902 23.891 ( -0.966 0.959 5.161) 5.338 24.084 ( -1.969 -1.109 -3.833) 4.450 24.113 ( -7.544 -0.052 -0.319) 7.551 24.227 ( -1.219 -2.223 0.491) 2.582 24.872 ( 5.933 -0.109 -2.163) 6.316 25.134 ( -2.963 -4.897 1.547) 5.929 25.293 ( -2.122 2.398 1.736) 3.642 25.378 ( -0.706 -0.782 -0.533) 1.181 25.570 ( 0.645 0.940 -1.050) 1.550 25.608 ( 0.845 0.165 0.628) 1.065 26.636 ( -1.354 2.846 -0.442) 3.183 26.812 ( -1.443 -0.722 0.190) 1.625 26.938 ( 0.389 -0.005 -1.941) 1.980 27.039 ( -2.753 -1.067 1.184) 3.181 27.736 ( 0.829 1.556 -1.978) 2.650 27.952 ( 0.715 -4.124 2.038) 4.655 28.756 ( 1.855 5.633 1.038) 6.021 29.112 ( 2.389 -3.235 -0.497) 4.052 29.981 ( 3.347 1.862 2.409) 4.524 30.034 ( -0.146 0.836 -0.332) 0.911 30.308 ( 5.666 -2.686 -3.669) 7.265 30.408 ( 0.939 0.674 -0.398) 1.222 30.466 ( -3.298 0.180 2.272) 4.009 30.683 ( -2.496 -1.354 1.268) 3.109 30.932 ( -0.332 1.581 -1.160) 1.989 31.055 ( -0.207 -1.122 -0.442) 1.224 31.975 ( 2.741 0.658 -0.493) 2.861 32.083 ( -2.370 -0.702 0.400) 2.504 ======================= Grid point 40 (40/105) ======================= q-point: ( 0.13 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -28.128 -2.376 6.350) 28.934 3.949 ( -50.301 16.273 -8.756) 53.588 4.022 ( -53.480 35.124 -26.001) 69.064 4.475 ( -15.071 6.232 0.463) 16.315 4.966 ( -13.851 -4.682 -8.113) 16.721 5.277 ( -2.862 -0.966 1.433) 3.343 5.892 ( -12.251 6.591 -14.245) 19.910 6.079 ( -10.137 15.090 -12.223) 21.906 6.767 ( -78.591 22.960 -40.581) 91.381 7.820 ( -1.700 1.157 1.659) 2.642 8.191 ( -2.773 -6.336 -16.936) 18.294 8.343 ( 0.235 -0.525 0.100) 0.584 9.624 ( 3.474 -1.931 9.544) 10.339 10.216 ( 8.278 -3.514 3.950) 9.822 10.311 ( -0.604 3.588 1.416) 3.904 10.548 ( 3.252 16.990 2.984) 17.554 10.855 ( 3.650 7.264 -4.223) 9.161 11.533 ( 21.812 -6.204 -0.485) 22.682 11.829 ( 2.997 13.608 22.171) 26.187 12.896 ( 5.036 -20.170 0.790) 20.805 13.296 ( -15.307 -16.484 5.693) 23.204 13.319 ( -9.755 -15.644 2.818) 18.650 13.637 ( 12.306 -4.606 24.876) 28.133 13.939 ( 17.009 -3.264 10.634) 20.324 14.685 ( 1.796 4.164 -9.624) 10.639 15.130 ( -5.883 1.066 -4.745) 7.633 15.753 ( -2.723 1.382 7.909) 8.478 15.912 ( 4.000 1.030 -2.178) 4.670 16.620 ( 5.073 -1.100 2.423) 5.728 16.782 ( -0.876 3.413 -11.164) 11.706 17.107 ( -9.820 10.806 9.071) 17.189 17.328 ( 3.595 -4.059 2.550) 5.992 17.350 ( 0.234 2.867 -4.038) 4.958 17.538 ( 2.162 -0.040 2.174) 3.066 17.690 ( -9.859 6.820 6.696) 13.731 17.840 ( -8.973 10.900 1.662) 14.216 18.024 ( 0.903 -0.823 -1.241) 1.742 18.142 ( -8.204 -5.751 -11.974) 15.612 18.287 ( -3.843 -0.646 7.662) 8.596 18.517 ( -9.299 -0.350 -5.336) 10.727 18.758 ( -21.793 -3.086 -7.947) 23.401 18.874 ( -9.452 -0.883 -8.802) 12.946 19.079 ( 6.493 -0.290 1.034) 6.582 19.444 ( -15.872 -6.347 -3.762) 17.503 19.691 ( 6.996 -5.647 14.667) 17.204 19.954 ( -1.773 3.587 0.279) 4.011 20.209 ( -0.403 -4.361 11.505) 12.310 20.449 ( 8.234 -0.189 6.765) 10.658 20.637 ( 10.041 1.801 2.346) 10.468 20.724 ( 7.474 -1.099 1.121) 7.637 21.007 ( 12.316 -4.525 -9.082) 15.957 21.353 ( 9.801 10.077 -10.528) 17.563 21.524 ( 0.026 -6.880 -13.575) 15.219 21.555 ( 0.978 0.050 -4.283) 4.393 21.901 ( 8.569 -11.449 -9.037) 16.917 21.937 ( 1.209 -0.011 0.554) 1.330 22.183 ( 2.317 0.374 -1.666) 2.878 22.200 ( -0.772 -4.428 3.458) 5.671 22.349 ( 4.389 -0.712 4.285) 6.175 22.441 ( 2.519 4.353 5.301) 7.308 22.652 ( -0.934 -5.685 -2.938) 6.467 22.703 ( 1.650 -3.446 0.448) 3.847 23.193 ( -2.166 2.745 4.936) 6.049 23.252 ( -1.875 2.791 1.052) 3.523 23.424 ( 2.184 -0.019 -0.141) 2.189 23.668 ( -1.688 7.605 2.052) 8.056 23.887 ( -1.977 2.081 3.844) 4.797 24.024 ( 3.107 -0.986 -4.973) 5.946 24.096 ( 1.257 0.471 -1.469) 1.990 24.213 ( 4.532 9.264 -4.672) 11.322 24.474 ( 2.062 2.264 2.384) 3.881 24.912 ( 5.882 -0.148 11.044) 12.514 25.081 ( 14.997 -1.761 5.313) 16.008 25.123 ( 10.632 -0.769 4.047) 11.403 25.306 ( 4.650 -1.350 -1.634) 5.110 25.370 ( 7.395 0.131 -7.322) 10.407 25.436 ( 3.947 1.302 -5.425) 6.834 25.469 ( 0.457 0.817 -4.008) 4.116 26.758 ( 1.240 0.808 0.285) 1.507 26.819 ( -1.258 -0.546 -1.231) 1.842 26.847 ( -0.943 1.174 -2.816) 3.193 27.002 ( 5.991 -0.151 -6.548) 8.876 27.869 ( -11.701 -5.213 4.560) 13.597 28.032 ( 1.946 2.898 5.410) 6.438 28.555 ( -11.657 4.971 1.378) 12.747 29.151 ( -4.049 -2.043 4.857) 6.645 29.587 ( -5.586 4.746 -2.024) 7.604 29.868 ( -1.073 0.728 -2.665) 2.963 30.131 ( -7.781 -2.291 2.368) 8.449 30.309 ( -6.097 -5.366 5.034) 9.556 30.497 ( 1.666 -0.350 -7.020) 7.224 30.719 ( 6.183 0.926 -0.911) 6.318 30.917 ( -0.295 0.178 -0.705) 0.785 31.336 ( 2.521 -1.462 3.980) 4.933 31.860 ( -3.254 -1.204 0.010) 3.470 32.181 ( 2.252 0.512 0.317) 2.331 ======================= Grid point 42 (41/105) ======================= q-point: ( 0.52 -0.52 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.456 ( -27.166 -2.606 -0.000) 27.291 3.998 ( 23.920 2.667 0.000) 24.068 4.823 ( -16.184 -11.700 -0.000) 19.971 5.183 ( 3.007 0.680 0.000) 3.083 5.568 ( 3.052 8.819 0.000) 9.332 5.604 ( 8.004 1.004 0.000) 8.067 7.450 ( -33.568 20.709 0.000) 39.442 7.668 ( -20.071 14.874 0.000) 24.981 7.699 ( 8.839 -7.602 -0.000) 11.659 7.890 ( 25.365 0.857 0.000) 25.380 8.499 ( -29.732 -3.842 -0.000) 29.979 9.159 ( 12.695 6.375 0.000) 14.206 9.450 ( 24.715 -12.132 -0.000) 27.532 9.522 ( 17.018 -4.248 0.000) 17.540 10.080 ( -14.458 -24.302 -0.000) 28.277 10.748 ( 8.134 17.301 0.000) 19.118 11.237 ( -42.120 17.452 -0.000) 45.592 11.705 ( 20.614 -3.664 0.000) 20.937 12.170 ( 17.373 -21.044 -0.000) 27.289 12.432 ( -19.961 39.754 0.000) 44.484 12.930 ( -5.467 -9.902 -0.000) 11.311 13.188 ( 11.525 1.383 0.000) 11.608 13.735 ( -4.005 -1.662 -0.000) 4.336 13.892 ( 4.447 4.396 0.000) 6.253 14.650 ( 9.348 -10.417 -0.000) 13.997 14.717 ( -1.536 10.083 0.000) 10.200 16.046 ( -7.101 -3.588 -0.000) 7.956 16.230 ( -4.524 6.127 0.000) 7.616 16.650 ( -5.885 -1.198 -0.000) 6.006 16.719 ( 9.778 -3.367 0.000) 10.342 17.045 ( 5.347 -7.621 -0.000) 9.310 17.130 ( -5.152 9.795 0.000) 11.067 17.345 ( -2.219 -5.582 -0.000) 6.007 17.598 ( 11.442 1.761 0.000) 11.577 17.813 ( -10.623 -2.676 -0.000) 10.955 17.961 ( 4.472 -13.206 -0.000) 13.943 18.217 ( -21.490 -10.572 -0.000) 23.949 18.365 ( -4.856 -1.532 -0.000) 5.092 18.428 ( -11.529 0.326 -0.000) 11.534 18.487 ( 0.301 -8.778 -0.000) 8.784 18.785 ( 12.251 1.901 0.000) 12.398 18.945 ( 11.803 11.243 0.000) 16.301 19.389 ( -3.333 -18.674 -0.000) 18.969 19.432 ( -5.774 5.113 0.000) 7.713 19.513 ( -7.879 -12.374 -0.000) 14.670 19.798 ( -13.079 -14.385 -0.000) 19.442 19.822 ( -17.303 19.040 0.000) 25.728 20.083 ( -4.871 -1.165 -0.000) 5.009 20.476 ( 8.823 0.429 0.000) 8.834 20.638 ( 9.449 2.969 0.000) 9.905 20.665 ( 13.611 8.144 0.000) 15.862 20.742 ( 10.431 16.557 0.000) 19.569 21.469 ( 6.487 -1.023 0.000) 6.567 21.495 ( 2.324 1.364 0.000) 2.694 21.971 ( -4.017 -7.191 -0.000) 8.237 21.976 ( -9.501 -2.389 -0.000) 9.796 22.235 ( -2.596 -0.912 -0.000) 2.752 22.333 ( 7.023 -0.033 0.000) 7.023 22.358 ( 3.337 2.271 0.000) 4.037 22.420 ( 1.178 10.881 0.000) 10.945 22.911 ( -14.048 0.390 -0.000) 14.054 23.012 ( -9.535 2.581 -0.000) 9.879 23.217 ( 3.178 -1.394 -0.000) 3.470 23.445 ( -2.144 0.572 -0.000) 2.219 23.459 ( 7.500 -0.627 0.000) 7.526 23.504 ( 25.452 0.541 0.000) 25.458 23.672 ( -1.328 -3.557 -0.000) 3.797 23.826 ( 8.893 4.662 0.000) 10.041 24.002 ( -1.621 -9.665 -0.000) 9.800 24.117 ( 2.184 -0.355 0.000) 2.213 24.498 ( -9.300 9.730 0.000) 13.459 24.514 ( 9.935 -5.091 -0.000) 11.163 24.803 ( 4.746 -7.036 -0.000) 8.487 24.878 ( -4.145 7.335 0.000) 8.425 25.147 ( -0.993 2.135 0.000) 2.354 25.200 ( 4.344 -0.190 0.000) 4.349 25.451 ( -3.307 -1.613 -0.000) 3.679 25.539 ( 2.632 1.367 0.000) 2.966 26.672 ( 1.971 -1.163 -0.000) 2.288 26.699 ( 2.430 1.288 0.000) 2.751 26.798 ( -0.072 -2.358 -0.000) 2.359 26.842 ( 0.611 1.652 0.000) 1.762 27.948 ( -6.766 -7.614 -0.000) 10.186 28.221 ( 4.242 9.052 0.000) 9.997 29.190 ( -1.271 -6.940 -0.000) 7.055 29.290 ( -4.695 6.005 0.000) 7.623 29.802 ( 0.051 -2.117 -0.000) 2.117 29.861 ( 1.846 2.656 0.000) 3.234 30.271 ( -2.555 -1.769 -0.000) 3.108 30.318 ( 0.026 0.437 0.000) 0.438 30.397 ( -5.301 -2.153 -0.000) 5.721 30.555 ( 5.836 3.143 0.000) 6.628 31.066 ( -5.695 1.756 -0.000) 5.959 31.128 ( 4.704 -2.454 -0.000) 5.306 31.981 ( -4.869 -0.686 -0.000) 4.917 32.080 ( 4.325 0.608 0.000) 4.368 ======================= Grid point 43 (42/105) ======================= q-point: ( 0.52 -0.19 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -19.577 1.866 2.212) 19.790 3.406 ( -13.966 -1.930 -4.746) 14.876 5.021 ( 5.013 0.136 1.949) 5.380 5.062 ( -0.790 -1.451 2.237) 2.781 5.417 ( -11.264 33.730 5.630) 36.004 5.800 ( 3.709 -3.256 10.356) 11.471 6.408 ( -21.774 35.803 30.108) 51.599 7.129 ( -2.154 14.180 24.116) 28.059 7.719 ( -17.290 -1.883 -1.372) 17.447 7.977 ( 4.129 12.433 -4.865) 13.975 8.272 ( 2.021 -1.876 5.504) 6.156 8.351 ( 1.867 -0.520 -0.075) 1.940 8.607 ( -18.625 -13.961 -18.451) 29.702 9.440 ( -6.971 22.719 2.830) 23.932 10.343 ( -10.037 -13.665 -2.674) 17.165 11.074 ( 2.489 -20.204 2.566) 20.518 11.366 ( 13.092 -12.863 -20.910) 27.823 11.549 ( -0.736 -12.835 -18.759) 22.742 11.769 ( -0.912 13.085 6.941) 14.840 12.291 ( -0.358 -3.903 -11.513) 12.162 12.477 ( -21.070 8.208 -3.353) 22.860 12.831 ( -5.222 -10.971 0.710) 12.171 12.884 ( 7.502 12.755 -13.193) 19.825 13.197 ( -2.424 12.137 -19.348) 22.968 14.842 ( -5.915 2.932 -3.366) 7.410 15.272 ( -4.064 -6.581 -5.365) 9.413 15.688 ( 2.742 11.550 6.624) 13.595 15.979 ( 8.519 -6.832 3.840) 11.575 16.702 ( 4.484 -4.437 -5.325) 8.255 16.868 ( 14.671 1.841 2.863) 15.060 17.051 ( -3.478 4.599 1.859) 6.059 17.302 ( 5.068 -6.987 -3.517) 9.321 17.427 ( -4.570 2.144 5.106) 7.180 17.659 ( -1.813 -12.030 0.178) 12.167 17.797 ( 6.413 1.780 0.108) 6.657 17.956 ( -2.704 0.688 11.435) 11.770 17.988 ( 8.321 2.473 4.873) 9.955 18.202 ( -2.381 -3.861 5.115) 6.837 18.319 ( -3.381 5.259 9.725) 11.561 18.494 ( -7.200 -3.462 2.017) 8.240 18.840 ( 1.628 -6.366 -4.421) 7.920 18.931 ( 5.675 0.681 6.867) 8.934 19.060 ( -11.303 5.053 2.816) 12.697 19.202 ( -4.220 -16.885 3.053) 17.670 19.399 ( -16.680 1.524 7.416) 18.318 19.718 ( 9.249 -9.357 -13.850) 19.103 19.735 ( -13.556 -3.428 -10.310) 17.373 20.361 ( -6.496 7.484 -1.405) 10.009 20.657 ( 11.301 7.102 -7.382) 15.253 20.801 ( -1.373 8.505 -11.637) 14.479 21.199 ( -1.842 -3.002 5.943) 6.909 21.395 ( 4.362 -8.642 5.351) 11.060 21.572 ( -2.915 -4.708 8.572) 10.205 21.724 ( 5.072 5.924 3.715) 8.638 21.822 ( -0.838 -2.326 0.662) 2.560 22.052 ( -0.163 3.760 6.885) 7.846 22.197 ( 3.429 5.018 3.696) 7.113 22.263 ( 1.991 1.105 -2.723) 3.550 22.401 ( 4.675 -3.305 3.318) 6.617 22.492 ( 14.735 -1.399 4.681) 15.524 22.587 ( 2.465 -1.446 4.544) 5.368 22.736 ( 4.575 -2.299 6.296) 8.115 23.105 ( -6.976 -4.169 3.424) 8.818 23.365 ( 2.351 0.709 -3.861) 4.576 23.513 ( 1.189 2.537 -4.688) 5.462 23.721 ( -5.342 -5.502 -2.057) 7.940 23.951 ( -4.533 5.624 5.858) 9.301 24.016 ( -0.627 -3.905 -1.706) 4.307 24.045 ( -0.204 4.037 0.240) 4.049 24.419 ( -0.641 2.557 -12.437) 12.713 24.777 ( 3.087 3.363 -0.603) 4.605 24.817 ( 2.274 -1.211 -1.827) 3.159 24.998 ( 4.773 -0.988 -1.995) 5.267 25.166 ( 3.270 0.466 1.959) 3.840 25.474 ( 6.399 0.161 -6.844) 9.371 25.523 ( 1.004 1.803 -1.745) 2.703 25.654 ( 10.380 0.443 4.723) 11.412 25.978 ( 18.924 4.342 -4.775) 19.994 26.684 ( -4.695 0.168 -0.242) 4.704 26.866 ( -1.850 1.816 -0.042) 2.592 26.937 ( -0.085 0.802 1.202) 1.447 27.166 ( 0.522 -1.263 3.529) 3.784 27.509 ( -3.392 -4.286 6.285) 8.329 28.037 ( -0.233 5.018 -11.914) 12.930 28.569 ( -6.374 3.534 3.030) 7.892 28.853 ( -1.442 -3.677 -6.348) 7.477 29.666 ( -5.726 -3.131 -0.411) 6.539 29.830 ( -6.047 3.566 -0.045) 7.020 30.003 ( -0.312 2.004 -0.422) 2.072 30.056 ( -3.332 0.433 -0.766) 3.446 30.669 ( 0.193 -0.393 9.421) 9.431 30.906 ( 3.577 1.227 0.619) 3.832 30.934 ( 1.105 0.948 0.658) 1.598 31.173 ( 1.404 -2.833 -5.597) 6.428 31.737 ( -3.269 -1.718 1.508) 3.989 32.232 ( 1.341 0.686 -0.998) 1.807 ======================= Grid point 44 (43/105) ======================= q-point: (-0.48 0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 26.908 -0.495 0.248) 26.914 3.778 ( 15.686 3.989 10.475) 19.279 4.894 ( -1.900 -4.727 -5.673) 7.624 5.095 ( 10.856 -6.855 -9.464) 15.951 5.222 ( 14.576 -13.550 -10.481) 22.492 5.914 ( 20.126 -6.992 -31.010) 37.624 6.044 ( 4.209 -24.448 -12.969) 27.993 6.827 ( 6.543 -20.635 -21.335) 30.394 7.809 ( 4.068 -5.563 -1.060) 6.973 8.120 ( 17.201 -11.350 -12.054) 23.874 8.317 ( -4.173 1.062 1.349) 4.512 8.483 ( 37.844 6.374 -14.089) 40.881 9.223 ( 5.559 14.201 30.766) 34.339 9.432 ( 21.260 -0.167 -8.636) 22.948 10.608 ( 4.965 -5.589 -5.728) 9.418 10.870 ( -21.398 -8.363 -7.881) 24.288 11.123 ( -12.089 -6.377 9.821) 16.831 11.448 ( -13.972 0.573 -1.782) 14.096 11.737 ( -1.839 -6.718 8.579) 11.050 12.569 ( 0.091 6.353 5.779) 8.589 12.707 ( 14.297 6.771 15.283) 21.996 12.893 ( 3.768 17.391 3.021) 18.049 13.073 ( 1.590 4.552 18.509) 19.127 13.442 ( 15.651 14.740 20.146) 29.463 14.904 ( 5.221 -3.446 -3.320) 7.082 15.275 ( 8.403 -6.136 -4.123) 11.192 15.729 ( 2.704 -0.870 -0.401) 2.869 15.887 ( -6.757 6.075 0.191) 9.088 16.553 ( -10.952 -1.863 1.779) 11.251 16.729 ( -4.561 5.375 6.091) 9.316 17.058 ( -4.449 2.054 3.371) 5.948 17.157 ( 0.098 -0.097 4.932) 4.934 17.558 ( -6.243 -0.872 -5.546) 8.396 17.661 ( 1.966 -4.879 -6.161) 8.101 17.721 ( 8.989 -3.898 -2.685) 10.159 17.898 ( 0.271 -1.783 4.277) 4.642 18.103 ( -4.947 -4.247 1.799) 6.763 18.259 ( 10.558 9.648 -5.698) 15.395 18.349 ( 2.542 -1.270 -3.944) 4.861 18.650 ( -0.711 -12.549 -6.802) 14.292 18.795 ( 10.718 2.825 -0.894) 11.120 18.914 ( -1.384 4.504 0.809) 4.781 19.127 ( 7.722 -6.394 -4.621) 11.039 19.406 ( 3.919 0.458 0.224) 3.952 19.633 ( 7.064 3.763 -5.121) 9.501 19.959 ( -1.060 1.469 7.574) 7.788 20.041 ( 5.807 3.562 -0.162) 6.814 20.157 ( 9.850 3.143 -2.318) 10.596 20.568 ( -11.414 6.321 3.358) 13.473 20.684 ( 1.612 -5.431 5.419) 7.840 21.131 ( -17.844 -3.543 -4.857) 18.829 21.370 ( -11.554 14.509 -0.182) 18.548 21.582 ( -3.021 -2.959 -0.379) 4.246 21.699 ( 3.497 -2.130 -5.792) 7.093 21.933 ( -3.327 1.179 -1.757) 3.943 21.995 ( -0.755 8.815 -2.013) 9.073 22.101 ( -6.565 -1.336 -1.976) 6.985 22.240 ( 0.405 -0.186 -2.823) 2.858 22.264 ( -2.484 0.689 4.471) 5.161 22.380 ( -0.816 0.164 0.132) 0.843 22.549 ( -3.646 3.578 -4.216) 6.624 22.708 ( -3.090 1.993 -3.933) 5.384 23.140 ( -1.694 -4.206 9.211) 10.267 23.303 ( -0.288 -4.010 1.008) 4.145 23.444 ( 3.789 -2.327 0.891) 4.535 23.772 ( -0.314 -3.386 1.346) 3.657 23.913 ( 1.278 -4.286 -2.169) 4.971 24.074 ( -0.682 2.124 -0.817) 2.376 24.100 ( 2.363 2.525 -3.593) 4.987 24.411 ( -1.057 -1.221 6.615) 6.809 24.485 ( -12.144 -8.801 -1.175) 15.044 24.709 ( -11.066 0.155 6.791) 12.985 24.896 ( -12.654 4.903 5.011) 14.466 25.121 ( -2.933 -0.874 -2.519) 3.964 25.303 ( -3.837 0.108 -0.770) 3.915 25.472 ( -1.855 -1.874 0.036) 2.637 25.542 ( -4.437 0.197 -5.149) 6.800 25.607 ( -7.693 -1.228 -4.098) 8.803 26.776 ( 2.058 -0.399 -0.423) 2.139 26.824 ( -2.239 0.549 -0.875) 2.465 26.923 ( 0.076 -0.627 -2.334) 2.418 27.135 ( -4.461 0.443 -5.235) 6.893 27.697 ( 6.197 5.234 -0.151) 8.113 27.939 ( -0.594 -4.365 10.180) 11.093 28.637 ( 8.716 -5.042 0.134) 10.070 28.973 ( 3.926 3.280 6.470) 8.248 29.744 ( 6.024 -4.895 -3.054) 8.342 29.957 ( 2.942 -0.561 -3.301) 4.457 30.033 ( 8.308 2.668 2.123) 8.981 30.169 ( 6.532 1.565 2.206) 7.070 30.650 ( -2.371 -0.127 -6.828) 7.229 30.763 ( -6.924 -1.003 -2.104) 7.305 30.936 ( 0.661 0.024 -0.806) 1.043 31.188 ( -2.133 2.076 6.333) 6.998 31.836 ( 3.971 1.085 -0.171) 4.120 32.184 ( -2.357 -0.505 0.416) 2.446 ======================= Grid point 45 (44/105) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( -23.867 0.000 -1.677) 23.925 3.824 ( 1.294 -0.000 5.360) 5.514 4.909 ( -6.184 0.000 0.141) 6.185 5.202 ( -5.716 0.000 3.833) 6.882 5.444 ( -2.894 0.000 -8.765) 9.231 5.866 ( 4.983 0.000 -5.974) 7.779 6.924 ( -21.324 0.000 -27.177) 34.544 7.202 ( -27.695 0.000 -32.350) 42.585 7.878 ( -1.055 0.000 -9.239) 9.299 8.221 ( 3.262 -0.000 -3.103) 4.502 8.242 ( 2.962 -0.000 1.200) 3.195 9.408 ( -2.721 -0.000 9.092) 9.491 9.473 ( -2.949 -0.000 24.111) 24.291 9.857 ( -11.222 -0.000 18.468) 21.610 10.182 ( -16.632 0.000 -1.270) 16.680 10.247 ( 13.462 -0.000 -3.483) 13.905 11.262 ( -17.323 0.000 -9.442) 19.729 11.379 ( -1.718 0.000 -30.621) 30.669 11.848 ( -8.336 0.000 -40.633) 41.479 12.336 ( 6.351 -0.000 32.930) 33.537 12.541 ( -2.391 -0.000 9.409) 9.708 13.220 ( 5.136 -0.000 -0.020) 5.136 13.328 ( -1.548 -0.000 7.433) 7.592 14.024 ( -4.059 0.000 -4.507) 6.065 15.176 ( -15.710 0.000 -2.539) 15.914 15.467 ( -13.254 0.000 1.073) 13.297 15.495 ( 4.924 -0.000 -0.116) 4.925 16.001 ( -6.498 0.000 -0.124) 6.499 16.207 ( 12.482 -0.000 1.942) 12.632 16.767 ( -5.233 0.000 4.343) 6.801 17.071 ( 3.928 -0.000 0.468) 3.956 17.213 ( -3.054 0.000 -0.670) 3.126 17.318 ( 5.164 -0.000 9.250) 10.594 17.344 ( 8.953 -0.000 1.652) 9.104 17.576 ( 10.317 -0.000 2.137) 10.536 17.616 ( -2.419 0.000 -8.220) 8.569 17.952 ( -27.955 0.000 11.153) 30.098 18.305 ( -6.448 0.000 -11.180) 12.906 18.530 ( 9.497 -0.000 6.197) 11.340 18.579 ( -4.059 -0.000 11.375) 12.078 18.924 ( -4.786 -0.000 5.935) 7.624 18.975 ( 26.354 -0.000 30.325) 40.176 19.331 ( -17.358 0.000 -7.031) 18.728 19.403 ( -14.010 0.000 -3.096) 14.348 19.793 ( -5.486 0.000 -16.352) 17.248 19.878 ( 11.018 -0.000 4.964) 12.085 20.016 ( -6.263 0.000 5.653) 8.437 20.236 ( 0.176 -0.000 6.985) 6.987 20.694 ( -17.690 0.000 -1.219) 17.732 20.847 ( -6.672 0.000 -19.898) 20.987 21.160 ( 7.975 -0.000 -6.074) 10.025 21.249 ( 27.789 -0.000 -8.686) 29.115 21.416 ( 23.063 -0.000 -0.013) 23.063 21.501 ( 20.223 -0.000 12.885) 23.979 21.721 ( 4.168 -0.000 2.076) 4.656 21.986 ( -0.601 0.000 -1.583) 1.693 22.098 ( -8.225 0.000 -6.102) 10.241 22.259 ( -6.469 0.000 1.210) 6.582 22.328 ( 6.658 -0.000 8.471) 10.774 22.509 ( -6.415 0.000 0.359) 6.425 22.704 ( -6.617 0.000 1.560) 6.798 22.907 ( -2.556 -0.000 9.140) 9.491 23.126 ( 3.565 0.000 -6.276) 7.218 23.137 ( -4.973 0.000 -4.360) 6.614 23.315 ( -3.724 0.000 2.394) 4.428 23.711 ( -5.897 0.000 -7.024) 9.171 23.820 ( 1.411 0.000 -1.928) 2.389 24.037 ( 24.044 -0.000 -6.101) 24.806 24.083 ( -0.116 0.000 -2.115) 2.119 24.236 ( 11.082 -0.000 -7.430) 13.342 24.280 ( 6.985 -0.000 4.621) 8.375 24.316 ( 11.082 -0.000 4.651) 12.019 24.772 ( -1.914 -0.000 4.055) 4.484 25.188 ( -0.910 0.000 -3.949) 4.052 25.313 ( 0.121 -0.000 0.418) 0.435 25.432 ( 2.849 0.000 -3.115) 4.221 25.572 ( 3.531 -0.000 3.124) 4.715 25.585 ( -0.782 0.000 -1.711) 1.882 26.651 ( 2.889 -0.000 1.491) 3.251 26.865 ( 3.177 -0.000 -0.566) 3.227 26.942 ( 0.255 -0.000 2.220) 2.235 27.119 ( 4.146 -0.000 -0.517) 4.178 27.692 ( -2.118 -0.000 5.881) 6.251 27.967 ( -2.235 0.000 -6.276) 6.662 28.647 ( -3.159 0.000 -3.419) 4.654 29.053 ( -6.578 0.000 1.813) 6.823 29.854 ( -7.337 0.000 -3.513) 8.135 30.017 ( -1.106 0.000 -1.627) 1.967 30.250 ( -4.240 0.000 4.226) 5.986 30.254 ( -9.071 0.000 1.414) 9.181 30.632 ( 8.877 -0.000 -2.656) 9.266 30.732 ( 1.834 0.000 -2.810) 3.356 30.929 ( 0.590 -0.000 2.431) 2.502 31.071 ( 0.553 -0.000 2.552) 2.612 31.904 ( -3.910 0.000 1.175) 4.083 32.140 ( 2.758 -0.000 -0.743) 2.856 ======================= Grid point 46 (45/105) ======================= q-point: (-0.08 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 0.000 0.000 -8.473) 8.473 1.776 ( 0.000 0.000 -85.267) 85.267 1.960 ( 0.000 0.000 -87.843) 87.843 2.667 ( 0.000 0.000 -125.600) 125.600 3.648 ( 0.000 0.000 -2.140) 2.140 5.062 ( 0.000 0.000 -1.624) 1.624 5.238 ( -0.000 -0.000 4.939) 4.939 5.900 ( 0.000 0.000 -9.640) 9.640 6.507 ( 0.000 0.000 -4.331) 4.331 7.771 ( -0.000 -0.000 0.758) 0.758 8.293 ( -0.000 -0.000 1.223) 1.223 9.202 ( -0.000 -0.000 2.249) 2.249 9.556 ( -0.000 -0.000 5.890) 5.890 10.248 ( 0.000 0.000 -3.102) 3.102 10.253 ( -0.000 -0.000 20.554) 20.554 10.260 ( -0.000 -0.000 2.438) 2.438 10.676 ( 0.000 0.000 -7.787) 7.787 11.929 ( -0.000 -0.000 1.953) 1.953 11.994 ( -0.000 -0.000 1.705) 1.705 13.066 ( 0.000 0.000 -1.419) 1.419 13.256 ( -0.000 -0.000 13.435) 13.435 13.657 ( -0.000 -0.000 1.757) 1.757 13.888 ( -0.000 -0.000 34.055) 34.055 14.305 ( -0.000 -0.000 26.717) 26.717 14.600 ( 0.000 0.000 -1.759) 1.759 14.996 ( -0.000 -0.000 3.884) 3.884 15.950 ( -0.000 -0.000 2.387) 2.387 16.132 ( -0.000 -0.000 5.296) 5.296 16.614 ( 0.000 0.000 -21.444) 21.444 16.733 ( -0.000 -0.000 9.481) 9.481 16.889 ( -0.000 -0.000 2.674) 2.674 17.048 ( 0.000 0.000 -8.135) 8.135 17.344 ( 0.000 0.000 -4.030) 4.030 17.373 ( 0.000 0.000 -13.401) 13.401 17.540 ( 0.000 0.000 -24.838) 24.838 17.675 ( -0.000 -0.000 11.307) 11.307 18.070 ( -0.000 -0.000 3.151) 3.151 18.090 ( 0.000 0.000 -7.208) 7.208 18.120 ( 0.000 0.000 -3.831) 3.831 18.184 ( -0.000 -0.000 5.827) 5.827 18.563 ( -0.000 -0.000 11.880) 11.880 18.600 ( 0.000 0.000 -5.117) 5.117 18.632 ( 0.000 0.000 -23.067) 23.067 19.235 ( -0.000 -0.000 4.304) 4.304 19.819 ( 0.000 0.000 -0.112) 0.112 20.064 ( -0.000 -0.000 7.481) 7.481 20.244 ( -0.000 -0.000 24.020) 24.020 20.577 ( -0.000 -0.000 8.407) 8.407 20.645 ( -0.000 -0.000 34.504) 34.504 20.920 ( 0.000 0.000 -13.247) 13.247 21.433 ( -0.000 -0.000 1.422) 1.422 21.489 ( 0.000 0.000 -28.771) 28.771 21.549 ( -0.000 -0.000 5.345) 5.345 21.611 ( 0.000 0.000 -14.372) 14.372 21.951 ( 0.000 0.000 -2.660) 2.660 22.153 ( -0.000 -0.000 5.644) 5.644 22.185 ( -0.000 -0.000 1.442) 1.442 22.385 ( 0.000 0.000 -26.270) 26.270 22.506 ( -0.000 -0.000 2.344) 2.344 22.530 ( -0.000 -0.000 9.598) 9.598 22.687 ( 0.000 0.000 -7.203) 7.203 22.695 ( 0.000 0.000 -8.407) 8.407 23.206 ( -0.000 -0.000 0.716) 0.716 23.425 ( 0.000 0.000 -0.637) 0.637 23.470 ( 0.000 0.000 -4.424) 4.424 23.491 ( -0.000 -0.000 3.736) 3.736 23.943 ( -0.000 -0.000 2.747) 2.747 24.083 ( -0.000 -0.000 0.572) 0.572 24.207 ( 0.000 0.000 -0.402) 0.402 24.279 ( -0.000 -0.000 4.031) 4.031 24.319 ( -0.000 -0.000 14.584) 14.584 25.015 ( 0.000 0.000 -1.289) 1.289 25.031 ( 0.000 0.000 -0.394) 0.394 25.229 ( -0.000 -0.000 0.951) 0.951 25.337 ( 0.000 0.000 -8.803) 8.803 25.348 ( -0.000 -0.000 2.661) 2.661 25.916 ( 0.000 0.000 -3.191) 3.191 26.086 ( -0.000 -0.000 10.453) 10.453 26.629 ( 0.000 0.000 -0.954) 0.954 26.697 ( 0.000 0.000 -2.300) 2.300 26.928 ( 0.000 0.000 -0.187) 0.187 27.108 ( 0.000 0.000 -4.618) 4.618 27.520 ( 0.000 0.000 -2.254) 2.254 28.063 ( -0.000 -0.000 6.890) 6.890 28.276 ( 0.000 0.000 -4.405) 4.405 29.096 ( -0.000 -0.000 5.230) 5.230 29.392 ( 0.000 0.000 -1.050) 1.050 29.863 ( 0.000 0.000 -2.111) 2.111 29.928 ( 0.000 0.000 -2.451) 2.451 29.966 ( -0.000 -0.000 3.761) 3.761 30.534 ( 0.000 0.000 -6.168) 6.168 30.833 ( 0.000 0.000 -2.069) 2.069 30.928 ( 0.000 0.000 -0.628) 0.628 31.395 ( -0.000 -0.000 4.264) 4.264 31.810 ( -0.000 -0.000 0.692) 0.692 32.218 ( -0.000 -0.000 0.210) 0.210 ======================= Grid point 47 (46/105) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( 26.819 -0.000 -8.080) 28.010 4.231 ( -17.136 0.000 -9.229) 19.463 4.670 ( 26.625 -0.000 5.493) 27.186 4.732 ( 44.292 -0.000 18.264) 47.910 5.358 ( 5.710 -0.000 -2.676) 6.306 5.467 ( 10.656 -0.000 11.530) 15.700 6.080 ( 24.192 -0.000 9.334) 25.930 6.256 ( 38.364 -0.000 6.325) 38.881 7.857 ( 4.469 -0.000 -4.272) 6.182 7.982 ( 32.310 -0.000 5.922) 32.848 8.317 ( -3.223 0.000 -1.380) 3.506 8.787 ( 76.071 -0.000 39.389) 85.664 9.673 ( -14.787 0.000 0.745) 14.805 9.745 ( -9.338 0.000 -0.017) 9.338 10.060 ( -4.590 0.000 3.810) 5.965 10.398 ( -20.886 0.000 11.216) 23.707 11.134 ( 10.068 -0.000 -0.671) 10.090 11.177 ( -17.059 0.000 1.053) 17.092 11.539 ( 7.291 0.000 -37.846) 38.542 13.093 ( 0.850 -0.000 3.770) 3.864 13.413 ( -12.266 0.000 -26.443) 29.149 13.432 ( -22.109 0.000 -6.627) 23.081 13.674 ( 0.477 0.000 -10.204) 10.215 13.759 ( 12.038 -0.000 1.262) 12.104 14.612 ( -3.476 -0.000 19.573) 19.879 15.274 ( 2.573 -0.000 23.665) 23.804 15.841 ( 8.801 0.000 -15.484) 17.810 15.855 ( 7.388 0.000 -9.370) 11.932 16.469 ( -10.982 0.000 -6.489) 12.756 16.811 ( 3.862 -0.000 13.843) 14.371 17.027 ( 6.670 -0.000 -2.009) 6.966 17.232 ( -3.190 0.000 -2.756) 4.216 17.393 ( -6.777 0.000 -9.140) 11.378 17.453 ( -1.906 0.000 -4.347) 4.746 17.825 ( -9.563 0.000 -4.229) 10.457 17.830 ( 13.658 -0.000 9.972) 16.911 18.063 ( 2.373 0.000 -11.050) 11.302 18.484 ( 11.758 -0.000 -9.167) 14.909 18.559 ( 18.185 -0.000 12.493) 22.063 18.663 ( 17.177 -0.000 12.336) 21.148 18.923 ( -6.661 0.000 4.788) 8.203 19.063 ( 0.812 0.000 -6.991) 7.038 19.140 ( 0.058 0.000 -5.508) 5.508 19.393 ( -18.844 0.000 9.818) 21.248 19.814 ( 16.652 -0.000 -1.007) 16.682 20.168 ( -16.836 0.000 -5.871) 17.831 20.209 ( 23.172 -0.000 -6.714) 24.125 20.280 ( -22.789 0.000 -2.913) 22.974 20.336 ( 5.363 -0.000 -4.776) 7.181 20.574 ( -12.028 0.000 1.998) 12.192 20.823 ( -11.818 0.000 8.168) 14.366 20.863 ( -18.756 0.000 4.414) 19.269 21.530 ( -3.952 0.000 2.489) 4.670 21.707 ( 7.951 -0.000 19.062) 20.654 21.849 ( -7.541 0.000 -5.491) 9.329 21.912 ( 5.257 -0.000 -3.000) 6.053 22.077 ( -8.858 0.000 -5.132) 10.237 22.244 ( 1.553 -0.000 5.974) 6.173 22.293 ( -2.946 0.000 -4.315) 5.225 22.466 ( 6.282 -0.000 0.072) 6.282 22.712 ( 5.553 -0.000 1.019) 5.646 22.752 ( 2.220 -0.000 3.522) 4.163 23.236 ( 1.083 0.000 -2.392) 2.625 23.277 ( 5.459 -0.000 -0.685) 5.502 23.425 ( 0.432 -0.000 4.225) 4.247 23.570 ( -0.701 0.000 -8.823) 8.851 23.923 ( -7.709 0.000 5.310) 9.361 23.947 ( 4.047 0.000 -5.278) 6.651 23.996 ( -8.079 0.000 2.511) 8.460 24.017 ( -12.340 0.000 -2.316) 12.556 24.392 ( -1.299 0.000 0.510) 1.396 24.517 ( -18.809 0.000 -3.836) 19.196 24.986 ( 0.376 0.000 -6.403) 6.414 25.052 ( 0.803 -0.000 0.741) 1.093 25.250 ( -5.550 0.000 2.125) 5.943 25.366 ( -0.470 -0.000 0.944) 1.055 25.385 ( 0.300 -0.000 5.054) 5.063 25.471 ( 0.814 -0.000 5.873) 5.929 26.687 ( -3.420 0.000 -0.073) 3.421 26.807 ( -1.894 0.000 1.647) 2.510 26.847 ( -4.159 0.000 3.483) 5.425 26.917 ( -0.724 -0.000 4.998) 5.050 27.951 ( -3.484 0.000 -4.470) 5.667 28.145 ( 9.887 -0.000 -7.584) 12.461 28.699 ( 9.591 -0.000 -3.608) 10.247 29.264 ( 5.026 -0.000 -5.181) 7.218 29.653 ( 5.761 -0.000 3.096) 6.540 29.883 ( 1.350 -0.000 3.858) 4.087 30.274 ( 4.672 -0.000 -0.764) 4.734 30.451 ( 3.346 0.000 -4.155) 5.334 30.454 ( -2.245 -0.000 7.176) 7.519 30.586 ( -6.938 0.000 0.171) 6.940 30.932 ( 2.023 -0.000 0.505) 2.085 31.288 ( -4.084 0.000 -3.737) 5.536 31.935 ( 3.603 -0.000 -0.177) 3.607 32.126 ( -3.086 0.000 -0.076) 3.087 ======================= Grid point 48 (47/105) ======================= q-point: ( 0.31 -0.31 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( -29.912 -4.432 -0.000) 30.239 4.198 ( -31.429 -4.473 -0.000) 31.745 4.479 ( -54.576 38.851 0.000) 66.992 4.722 ( 14.676 1.168 0.000) 14.722 5.033 ( -47.782 46.419 0.000) 66.617 5.226 ( -1.279 -4.055 -0.000) 4.252 5.877 ( 2.943 6.197 0.000) 6.860 6.132 ( -6.871 9.646 0.000) 11.843 7.171 ( -89.766 58.566 0.000) 107.181 7.866 ( -1.962 1.206 0.000) 2.303 8.003 ( -3.695 2.974 0.000) 4.743 8.333 ( 1.139 -0.557 -0.000) 1.268 9.779 ( 16.585 0.276 0.000) 16.588 10.176 ( 4.898 -17.276 -0.000) 17.957 10.234 ( 2.296 -3.894 -0.000) 4.520 10.755 ( 12.995 17.332 0.000) 21.663 11.265 ( 12.631 0.619 0.000) 12.646 11.581 ( 14.175 29.420 0.000) 32.657 11.819 ( -2.421 -24.353 -0.000) 24.473 12.720 ( -2.564 -19.443 -0.000) 19.611 12.981 ( -22.394 -2.457 -0.000) 22.529 13.038 ( -18.161 -19.158 -0.000) 26.398 13.903 ( 14.788 -3.071 0.000) 15.103 13.974 ( 19.472 -0.564 0.000) 19.480 14.724 ( 10.826 12.921 0.000) 16.857 15.004 ( 9.349 -3.852 0.000) 10.111 15.891 ( -16.067 -3.852 -0.000) 16.522 15.913 ( -0.801 0.096 -0.000) 0.807 16.554 ( -5.923 -1.952 -0.000) 6.237 16.815 ( 6.346 6.917 0.000) 9.387 17.187 ( -4.472 3.785 0.000) 5.859 17.269 ( -0.147 -6.737 -0.000) 6.738 17.518 ( 6.566 -5.915 -0.000) 8.837 17.722 ( -16.680 -3.973 -0.000) 17.147 17.724 ( -2.571 2.771 0.000) 3.780 17.793 ( -7.784 -5.436 -0.000) 9.494 17.878 ( 9.751 -5.276 -0.000) 11.087 18.196 ( -10.500 15.605 0.000) 18.809 18.486 ( 2.817 0.302 0.000) 2.834 18.528 ( -13.050 3.243 -0.000) 13.447 18.569 ( -20.197 4.475 -0.000) 20.687 18.651 ( -12.285 0.776 -0.000) 12.309 19.141 ( 0.727 7.126 0.000) 7.163 19.186 ( -11.277 -16.691 -0.000) 20.143 19.710 ( 28.135 -5.225 0.000) 28.616 19.817 ( 4.013 -17.838 -0.000) 18.283 20.184 ( 9.399 -8.476 -0.000) 12.657 20.419 ( 1.808 -5.583 -0.000) 5.868 20.634 ( 3.457 -5.074 -0.000) 6.140 20.859 ( 9.139 5.028 0.000) 10.430 20.990 ( 8.430 -0.458 0.000) 8.443 21.179 ( 5.637 4.614 0.000) 7.285 21.406 ( -4.342 5.267 0.000) 6.827 21.526 ( 3.998 -4.200 -0.000) 5.798 21.680 ( 6.488 7.486 0.000) 9.906 21.949 ( -3.797 -5.386 -0.000) 6.590 22.128 ( -5.972 -3.502 -0.000) 6.923 22.202 ( 1.985 4.126 0.000) 4.579 22.362 ( 0.466 -4.989 -0.000) 5.011 22.533 ( -0.594 -0.653 -0.000) 0.883 22.595 ( -1.894 0.471 -0.000) 1.952 22.621 ( -6.172 -4.199 -0.000) 7.465 23.269 ( -4.718 -0.511 -0.000) 4.745 23.345 ( -3.597 8.366 0.000) 9.107 23.458 ( 8.035 1.288 0.000) 8.138 23.836 ( -8.980 7.998 0.000) 12.026 23.852 ( 7.449 -4.736 -0.000) 8.827 24.043 ( 0.347 -0.839 -0.000) 0.908 24.050 ( 0.077 2.270 0.000) 2.272 24.373 ( 12.409 9.326 0.000) 15.523 24.586 ( -2.176 5.727 0.000) 6.127 25.055 ( 4.802 -8.105 -0.000) 9.421 25.107 ( 6.416 -2.764 -0.000) 6.986 25.138 ( 26.558 -0.606 0.000) 26.565 25.205 ( 1.824 1.115 0.000) 2.138 25.310 ( -0.232 -1.246 -0.000) 1.267 25.384 ( 22.049 7.292 0.000) 23.224 25.502 ( -1.478 3.920 0.000) 4.189 26.774 ( -2.343 -0.377 -0.000) 2.373 26.835 ( -0.004 1.259 0.000) 1.259 26.841 ( 3.595 2.450 0.000) 4.351 26.905 ( 5.554 -1.092 0.000) 5.661 27.779 ( -10.859 -8.056 -0.000) 13.521 28.180 ( 1.590 5.912 0.000) 6.122 28.706 ( -15.719 7.366 0.000) 17.359 29.145 ( -3.626 -3.714 -0.000) 5.191 29.704 ( -4.208 8.142 0.000) 9.164 29.825 ( -0.853 -2.031 -0.000) 2.202 30.104 ( -7.583 -2.378 -0.000) 7.947 30.275 ( -5.890 -4.102 -0.000) 7.178 30.367 ( 1.438 -1.897 -0.000) 2.380 30.749 ( 6.302 2.575 0.000) 6.808 30.912 ( -1.041 0.063 -0.000) 1.043 31.333 ( 2.715 -3.050 -0.000) 4.083 31.824 ( -4.068 -2.035 -0.000) 4.549 32.201 ( 2.539 0.978 0.000) 2.721 ======================= Grid point 50 (48/105) ======================= q-point: (-0.69 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.346 ( 22.619 -0.123 3.516) 22.891 3.699 ( -15.217 1.351 6.578) 16.633 5.102 ( 12.959 5.059 -7.194) 15.662 5.282 ( 3.490 2.112 -1.857) 4.482 5.506 ( -4.632 -3.584 -0.897) 5.925 5.609 ( -12.022 -3.087 1.701) 12.529 7.466 ( 20.763 -5.110 -1.548) 21.439 7.701 ( 7.415 -3.349 -1.499) 8.273 7.825 ( -5.331 -4.141 -0.984) 6.822 7.934 ( -18.520 -2.023 0.804) 18.647 8.695 ( 19.768 -6.357 -9.363) 22.778 8.919 ( -11.831 5.688 11.020) 17.140 9.477 ( 15.535 7.776 -4.829) 18.031 9.868 ( -18.929 0.148 -14.781) 24.016 10.330 ( 9.048 17.923 -11.293) 23.036 10.704 ( -4.982 4.085 7.698) 10.038 11.269 ( 10.216 -5.821 20.529) 23.658 11.619 ( 12.726 -13.815 -1.117) 18.817 11.766 ( -4.749 -17.915 14.980) 23.831 12.014 ( -16.776 -0.798 -15.827) 23.077 12.576 ( -4.427 17.423 19.468) 26.498 13.056 ( 1.643 -21.900 1.936) 22.047 13.619 ( 17.062 8.661 0.319) 19.137 14.004 ( -2.413 -0.156 3.710) 4.429 15.226 ( 3.642 -1.627 -12.922) 13.524 15.281 ( -4.349 -0.789 -17.598) 18.144 15.796 ( 10.475 2.865 7.784) 13.361 16.118 ( -7.257 -7.628 5.177) 11.733 16.361 ( 19.619 2.862 -2.980) 20.050 16.533 ( -10.018 11.348 0.733) 15.156 16.923 ( 3.933 -5.649 2.135) 7.207 16.996 ( -4.542 -1.037 -1.014) 4.768 17.415 ( -2.952 1.763 6.702) 7.532 17.520 ( -6.163 -3.620 8.706) 11.264 17.948 ( 5.986 19.380 -3.336) 20.555 18.173 ( 14.607 -0.810 6.905) 16.177 18.253 ( 3.996 1.334 -3.334) 5.372 18.328 ( 3.680 5.319 4.226) 7.726 18.329 ( -7.915 5.258 -3.368) 10.081 18.487 ( -0.069 -6.315 -2.584) 6.823 18.887 ( 6.281 17.541 2.411) 18.787 19.110 ( 6.680 11.431 -0.308) 13.244 19.305 ( -0.119 -5.198 -14.529) 15.431 19.385 ( -5.626 0.072 -7.844) 9.653 19.522 ( -0.370 -9.381 6.554) 11.450 19.635 ( -15.023 -23.223 9.881) 29.371 20.176 ( 18.769 0.226 -7.395) 20.175 20.260 ( -6.427 6.302 -4.691) 10.151 20.423 ( -4.129 -5.241 8.236) 10.599 20.557 ( -10.503 1.317 -22.878) 25.208 20.983 ( 2.714 1.822 -9.011) 9.586 21.166 ( -1.597 -8.954 -5.799) 10.787 21.327 ( -11.127 5.757 8.377) 15.071 21.387 ( -2.320 -2.954 8.661) 9.440 21.866 ( 3.754 7.897 2.979) 9.237 22.015 ( -1.052 -2.644 4.734) 5.523 22.187 ( 2.865 1.696 -2.064) 3.917 22.240 ( -1.625 1.806 0.688) 2.525 22.285 ( -0.504 -3.192 2.182) 3.899 22.411 ( -0.871 -7.773 -1.940) 8.059 22.689 ( 12.688 -0.067 6.604) 14.304 22.812 ( 4.120 1.349 1.481) 4.582 23.253 ( 2.311 -1.200 3.836) 4.636 23.353 ( -4.393 -0.649 5.330) 6.938 23.472 ( -0.786 -0.369 -6.955) 7.009 23.693 ( -14.334 2.276 -5.473) 15.511 23.863 ( -0.909 2.599 -1.592) 3.180 23.887 ( -0.989 0.686 -1.387) 1.837 23.945 ( -3.092 1.519 0.512) 3.483 24.110 ( -6.197 -2.779 8.933) 11.222 24.129 ( 0.296 1.978 0.951) 2.214 24.256 ( -4.874 -2.675 6.643) 8.663 24.849 ( 8.012 2.462 -1.337) 8.488 25.065 ( -6.883 -4.362 0.142) 8.150 25.277 ( 2.948 -0.983 -6.249) 6.980 25.327 ( -4.361 0.693 -2.380) 5.016 25.551 ( 1.760 0.779 -2.330) 3.022 25.579 ( 0.019 -0.183 -2.805) 2.811 26.690 ( -1.037 3.341 -0.997) 3.637 26.752 ( -1.594 -2.560 -2.213) 3.740 26.894 ( 0.893 2.573 -3.335) 4.306 26.982 ( -2.973 -2.157 -3.686) 5.204 27.805 ( 4.423 4.616 3.738) 7.406 27.981 ( -2.805 -6.081 8.266) 10.638 28.965 ( 1.583 6.528 6.417) 9.290 29.077 ( 2.890 -5.500 5.421) 8.246 29.960 ( 1.918 0.889 -5.150) 5.567 30.006 ( -1.300 -1.009 -4.255) 4.562 30.277 ( 6.928 1.214 2.643) 7.514 30.406 ( 1.290 1.337 -1.670) 2.498 30.484 ( -1.435 -2.130 0.528) 2.621 30.577 ( -4.576 -0.981 -6.389) 7.920 30.999 ( 2.396 0.930 2.556) 3.625 31.057 ( -2.135 -0.215 2.542) 3.327 31.984 ( 4.105 0.809 -0.202) 4.189 32.074 ( -3.647 -0.770 0.282) 3.738 ======================= Grid point 51 (49/105) ======================= q-point: (-0.29 -0.21 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -19.073 0.323 -2.575) 19.249 3.359 ( -14.114 -0.187 2.333) 14.307 4.988 ( -0.640 -3.175 -15.778) 16.107 5.057 ( -0.529 -2.467 -0.251) 2.536 5.156 ( -7.130 -1.274 -25.121) 26.144 5.906 ( 2.942 -10.735 -15.820) 19.343 6.359 ( -17.922 -3.800 -53.440) 56.493 6.816 ( -2.575 -19.848 -25.880) 32.716 7.595 ( -9.351 0.919 -7.113) 11.785 8.154 ( -6.850 8.020 -0.066) 10.548 8.334 ( -3.441 -2.982 -8.708) 9.827 8.603 ( -1.445 16.681 29.941) 34.304 8.957 ( -3.548 21.150 26.100) 33.780 9.322 ( -16.502 -5.815 -52.522) 55.360 10.065 ( -1.751 -24.031 23.668) 33.775 10.704 ( -10.145 -24.515 6.601) 27.340 10.922 ( -0.517 -1.038 0.795) 1.406 11.335 ( 8.577 4.925 10.642) 14.528 11.990 ( 10.245 -0.601 -5.336) 11.567 12.339 ( -2.865 5.712 19.420) 20.444 12.419 ( -15.826 0.424 -7.332) 17.448 12.931 ( 4.568 19.755 2.592) 20.441 13.092 ( -6.041 17.767 11.496) 22.007 13.717 ( -0.047 24.519 4.171) 24.872 14.798 ( -5.056 -3.246 -4.506) 7.510 14.984 ( -6.121 -6.750 -1.977) 9.324 15.810 ( 6.249 -2.340 -2.332) 7.069 16.091 ( 5.167 6.352 3.406) 8.868 16.582 ( 7.326 -3.318 0.162) 8.044 16.972 ( 11.815 3.024 0.642) 12.213 17.074 ( -2.752 1.175 -2.429) 3.854 17.216 ( 2.675 -1.309 2.624) 3.969 17.399 ( -0.211 -9.153 -1.256) 9.241 17.474 ( -2.440 -1.505 -3.479) 4.508 17.709 ( 7.801 -5.985 0.429) 9.842 17.899 ( 0.087 -9.571 2.788) 9.969 18.190 ( 11.430 -14.596 7.321) 19.932 18.282 ( 2.206 -0.088 -2.680) 3.472 18.373 ( -6.873 -0.763 -7.078) 9.895 18.484 ( -7.167 -1.193 1.000) 7.335 18.656 ( -1.682 3.260 5.479) 6.593 19.001 ( 9.177 3.767 -6.283) 11.743 19.037 ( 10.960 -0.365 8.074) 13.618 19.155 ( -24.944 -5.885 -13.247) 28.850 19.307 ( -22.612 -1.656 5.156) 23.251 19.638 ( -8.405 4.934 -1.496) 9.860 19.817 ( -17.589 1.818 16.452) 24.153 20.070 ( -0.230 -10.204 3.368) 10.747 20.547 ( -2.861 2.184 -18.266) 18.618 21.030 ( 18.177 2.132 7.967) 19.961 21.268 ( 1.276 -6.439 5.520) 8.576 21.525 ( 1.422 17.274 4.961) 18.029 21.699 ( -6.145 3.207 -10.021) 12.184 21.869 ( 0.650 1.586 15.106) 15.203 21.952 ( 3.755 3.900 5.804) 7.937 22.102 ( -1.757 0.317 -0.860) 1.981 22.208 ( -0.607 4.566 -6.313) 7.814 22.282 ( 4.123 -1.306 -9.428) 10.373 22.431 ( 0.977 1.901 3.312) 3.941 22.624 ( 23.242 4.349 7.296) 24.745 22.699 ( 4.557 1.995 8.585) 9.922 22.897 ( 7.511 -3.040 11.755) 14.277 23.067 ( 3.941 -1.111 -4.341) 5.967 23.261 ( -0.906 -3.522 -5.472) 6.570 23.353 ( 0.626 -4.009 -4.486) 6.049 23.669 ( -2.895 -2.869 1.949) 4.518 23.912 ( -0.211 -2.209 -2.022) 3.002 24.088 ( 0.300 1.002 -1.111) 1.526 24.145 ( -5.478 2.509 1.570) 6.227 24.179 ( -6.322 -0.399 -6.343) 8.965 24.575 ( -1.412 -3.591 -11.100) 11.752 24.852 ( 14.192 -1.085 2.827) 14.511 25.066 ( 4.211 3.333 2.979) 6.141 25.277 ( 3.017 -0.500 -8.509) 9.042 25.294 ( 0.928 -0.094 8.254) 8.306 25.450 ( 0.449 -1.357 -2.910) 3.242 25.761 ( 10.647 0.362 2.396) 10.919 25.887 ( 10.697 0.702 -8.606) 13.747 26.693 ( -3.453 0.532 0.495) 3.528 26.868 ( -2.806 0.588 -2.175) 3.599 26.946 ( -0.097 0.016 -1.172) 1.176 27.199 ( -0.480 -0.371 1.839) 1.937 27.644 ( -0.525 -1.976 11.591) 11.770 27.852 ( -1.103 2.673 -12.505) 12.835 28.578 ( -1.206 -0.922 -6.694) 6.864 28.799 ( -3.696 0.413 6.572) 7.551 29.567 ( -6.876 -3.693 -1.747) 7.999 29.892 ( -6.651 1.994 0.933) 7.006 29.985 ( -0.173 -0.286 -2.828) 2.848 30.074 ( -3.444 1.707 -0.269) 3.854 30.770 ( 0.493 -0.163 -1.002) 1.128 30.929 ( 4.400 0.056 -2.435) 5.029 30.940 ( 0.705 0.023 -0.361) 0.792 31.101 ( 0.699 0.026 4.976) 5.024 31.760 ( -2.904 -0.159 2.282) 3.697 32.220 ( 1.238 0.143 -0.905) 1.540 ======================= Grid point 53 (50/105) ======================= q-point: (-0.29 0.46 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.393 ( -25.564 -1.291 -1.862) 25.664 3.879 ( 17.948 -0.112 -11.822) 21.491 4.783 ( -11.546 -5.629 11.868) 17.488 5.194 ( -2.068 -1.430 2.446) 3.507 5.576 ( 5.361 0.670 -3.063) 6.211 5.723 ( 10.509 5.069 -0.479) 11.678 7.637 ( 9.443 -1.987 3.505) 10.266 7.647 ( 4.079 1.934 -6.954) 8.291 7.924 ( 0.248 10.770 -0.948) 10.815 8.061 ( 9.627 10.383 3.001) 14.474 8.617 ( -24.336 8.727 7.113) 26.814 9.109 ( 16.992 -3.039 -11.964) 21.003 9.173 ( -7.433 -13.265 7.768) 17.075 9.518 ( 10.228 -5.919 8.554) 14.588 9.770 ( -10.256 -15.943 11.144) 21.990 10.878 ( 2.657 -1.758 -15.389) 15.716 11.511 ( 0.414 -0.425 4.330) 4.370 11.622 ( -14.394 4.526 5.342) 16.006 12.046 ( 32.762 12.317 -1.236) 35.022 12.671 ( -3.379 14.071 -28.133) 31.637 12.789 ( 1.872 3.472 -8.083) 8.994 13.245 ( -10.757 6.734 -4.503) 13.466 13.737 ( 3.626 2.291 -6.178) 7.521 13.886 ( 1.722 -5.970 6.147) 8.740 14.640 ( 3.963 -9.138 21.263) 23.480 15.109 ( 0.670 5.997 18.715) 19.663 15.948 ( -8.527 1.529 -8.699) 12.277 16.311 ( 6.289 -0.899 -11.745) 13.353 16.427 ( -15.765 1.544 -8.976) 18.207 16.596 ( 9.421 6.607 -4.042) 12.196 17.005 ( -0.389 1.295 -0.568) 1.466 17.150 ( -4.417 4.436 -6.875) 9.298 17.286 ( -2.384 -10.099 6.660) 12.330 17.493 ( 3.643 -12.679 1.369) 13.263 17.614 ( -2.608 -13.351 -4.890) 14.456 18.001 ( -13.054 -5.583 6.202) 15.493 18.091 ( 1.754 1.351 9.507) 9.762 18.338 ( -20.941 -3.621 -1.396) 21.298 18.443 ( -5.788 1.949 1.850) 6.382 18.569 ( -7.967 6.240 -1.638) 10.252 18.633 ( -2.073 -8.937 0.653) 9.198 18.993 ( -4.877 -4.035 -1.614) 6.532 19.042 ( -20.707 -15.779 -3.538) 26.273 19.184 ( 9.912 4.408 4.900) 11.904 19.644 ( -8.341 0.190 1.932) 8.564 19.864 ( 10.641 -3.090 19.739) 22.637 20.051 ( -2.363 5.711 5.100) 8.013 20.260 ( -15.420 6.991 1.227) 16.976 20.472 ( 16.578 6.543 -4.520) 18.387 20.623 ( 8.652 4.026 -4.268) 10.454 20.876 ( 16.603 8.620 1.908) 18.805 21.229 ( -6.516 13.594 5.916) 16.194 21.324 ( 14.802 -4.289 -3.958) 15.911 21.509 ( -1.960 -3.472 -2.206) 4.557 21.832 ( -6.713 -6.771 -3.310) 10.093 21.944 ( -1.236 -0.713 6.912) 7.058 22.184 ( -0.949 -1.758 -0.065) 1.999 22.308 ( 6.594 -0.116 -6.252) 9.088 22.316 ( 5.006 0.254 -3.248) 5.973 22.580 ( 1.335 6.788 -2.325) 7.298 22.875 ( -11.646 1.291 -3.863) 12.338 22.923 ( -8.009 2.269 -9.785) 12.847 23.306 ( -1.200 -0.178 6.867) 6.973 23.367 ( -1.622 0.062 -4.045) 4.358 23.449 ( 11.605 -0.826 -2.656) 11.934 23.545 ( 19.305 -2.147 3.577) 19.751 23.720 ( 0.451 -1.273 7.126) 7.252 23.747 ( 3.726 -8.818 0.157) 9.574 23.958 ( 5.169 3.199 1.944) 6.382 24.074 ( 3.412 -2.826 0.478) 4.456 24.389 ( 4.098 2.668 -8.215) 9.560 24.485 ( 3.770 0.502 -11.441) 12.056 24.768 ( -9.226 0.046 3.393) 9.830 25.089 ( -2.562 3.031 7.893) 8.835 25.196 ( 1.795 0.012 0.715) 1.932 25.259 ( 4.635 3.094 3.027) 6.342 25.458 ( 0.060 -2.526 4.793) 5.418 25.552 ( 1.513 0.481 -0.481) 1.659 26.641 ( 0.961 -1.475 -0.863) 1.960 26.735 ( 1.759 0.894 1.929) 2.759 26.785 ( 0.242 -1.694 2.405) 2.951 26.923 ( 1.466 1.090 4.668) 5.013 27.796 ( -6.344 -3.646 -3.018) 7.915 28.303 ( 3.333 7.138 -8.245) 11.404 28.976 ( 0.157 -6.409 -6.373) 9.040 29.302 ( -3.759 3.214 -6.521) 8.184 29.820 ( 0.247 -1.604 4.874) 5.137 29.940 ( 2.899 0.960 3.651) 4.760 30.273 ( -4.716 -0.719 2.512) 5.391 30.344 ( -4.925 -0.982 -1.231) 5.170 30.419 ( 0.161 0.156 7.592) 7.595 30.593 ( 5.920 2.574 -2.164) 6.809 31.047 ( -0.620 -0.932 -2.990) 3.192 31.095 ( -1.593 0.452 -0.707) 1.801 31.969 ( -4.621 -0.485 -0.081) 4.647 32.090 ( 3.916 0.466 -0.004) 3.944 ======================= Grid point 54 (51/105) ======================= q-point: ( 0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 0.000 11.623 0.000) 11.623 1.524 ( 0.000 76.610 0.000) 76.610 1.649 ( 0.000 73.117 0.000) 73.117 2.574 ( 0.000 130.353 0.000) 130.353 3.656 ( 0.000 1.067 0.000) 1.067 5.042 ( -0.000 -0.171 -0.000) 0.171 5.276 ( -0.000 -2.678 -0.000) 2.678 5.977 ( 0.000 5.858 0.000) 5.858 6.314 ( -0.000 -4.816 -0.000) 4.816 7.812 ( 0.000 2.636 0.000) 2.636 7.872 ( 0.000 1.791 0.000) 1.791 8.309 ( 0.000 0.364 0.000) 0.364 9.768 ( 0.000 13.457 0.000) 13.457 10.380 ( 0.000 16.394 0.000) 16.394 10.385 ( -0.000 -8.008 -0.000) 8.008 10.508 ( -0.000 -5.622 -0.000) 5.622 11.933 ( -0.000 -9.604 -0.000) 9.604 11.945 ( -0.000 -1.731 -0.000) 1.731 12.040 ( 0.000 4.247 0.000) 4.247 12.894 ( -0.000 -13.839 -0.000) 13.839 13.101 ( -0.000 -30.824 -0.000) 30.824 13.188 ( -0.000 -22.401 -0.000) 22.401 14.292 ( -0.000 -1.092 -0.000) 1.092 14.509 ( -0.000 -4.711 -0.000) 4.711 14.792 ( 0.000 8.672 0.000) 8.672 15.165 ( 0.000 8.698 0.000) 8.698 15.781 ( -0.000 -13.747 -0.000) 13.747 16.209 ( -0.000 -10.179 -0.000) 10.179 16.364 ( 0.000 3.616 0.000) 3.616 16.869 ( 0.000 4.059 0.000) 4.059 17.011 ( 0.000 0.335 0.000) 0.335 17.179 ( 0.000 1.578 0.000) 1.578 17.226 ( 0.000 4.886 0.000) 4.886 17.355 ( 0.000 31.448 0.000) 31.448 17.390 ( 0.000 8.313 0.000) 8.313 17.945 ( -0.000 -8.021 -0.000) 8.021 17.949 ( -0.000 -11.026 -0.000) 11.026 18.055 ( 0.000 1.138 0.000) 1.138 18.086 ( 0.000 5.972 0.000) 5.972 18.111 ( 0.000 2.591 0.000) 2.591 18.398 ( -0.000 -6.078 -0.000) 6.078 18.615 ( 0.000 5.034 0.000) 5.034 18.711 ( 0.000 2.533 0.000) 2.533 19.248 ( -0.000 -2.737 -0.000) 2.737 19.815 ( 0.000 2.380 0.000) 2.380 20.115 ( -0.000 -3.764 -0.000) 3.764 20.597 ( -0.000 -20.194 -0.000) 20.194 20.773 ( 0.000 0.241 0.000) 0.241 20.798 ( 0.000 5.393 0.000) 5.393 20.812 ( 0.000 1.237 0.000) 1.237 21.276 ( -0.000 -1.766 -0.000) 1.766 21.304 ( 0.000 6.083 0.000) 6.083 21.432 ( -0.000 -1.046 -0.000) 1.046 21.651 ( 0.000 1.774 0.000) 1.774 21.935 ( 0.000 4.027 0.000) 4.027 22.007 ( -0.000 -1.245 -0.000) 1.245 22.099 ( -0.000 -10.326 -0.000) 10.326 22.206 ( -0.000 -9.146 -0.000) 9.146 22.463 ( -0.000 -4.196 -0.000) 4.196 22.573 ( -0.000 -2.248 -0.000) 2.248 22.602 ( -0.000 -1.243 -0.000) 1.243 22.618 ( -0.000 -1.224 -0.000) 1.224 23.083 ( -0.000 -6.152 -0.000) 6.152 23.181 ( -0.000 -3.023 -0.000) 3.023 23.492 ( 0.000 5.730 0.000) 5.730 23.909 ( 0.000 0.292 0.000) 0.292 23.914 ( 0.000 12.428 0.000) 12.428 24.150 ( -0.000 -15.954 -0.000) 15.954 24.164 ( -0.000 -1.237 -0.000) 1.237 24.269 ( 0.000 13.601 0.000) 13.601 24.482 ( 0.000 0.930 0.000) 0.930 25.010 ( 0.000 1.311 0.000) 1.311 25.106 ( 0.000 4.345 0.000) 4.345 25.252 ( 0.000 1.192 0.000) 1.192 25.291 ( 0.000 4.477 0.000) 4.477 25.343 ( -0.000 -3.084 -0.000) 3.084 25.876 ( 0.000 0.888 0.000) 0.888 26.247 ( 0.000 4.618 0.000) 4.618 26.624 ( 0.000 0.631 0.000) 0.631 26.669 ( -0.000 -0.137 -0.000) 0.137 26.857 ( 0.000 3.385 0.000) 3.385 27.051 ( -0.000 -1.151 -0.000) 1.151 27.536 ( -0.000 -3.606 -0.000) 3.606 28.124 ( 0.000 2.986 0.000) 2.986 28.251 ( 0.000 2.156 0.000) 2.156 29.135 ( -0.000 -1.719 -0.000) 1.719 29.440 ( 0.000 5.950 0.000) 5.950 29.850 ( -0.000 -4.397 -0.000) 4.397 29.866 ( 0.000 2.522 0.000) 2.522 30.037 ( 0.000 1.637 0.000) 1.637 30.442 ( -0.000 -1.794 -0.000) 1.794 30.833 ( 0.000 2.149 0.000) 2.149 30.920 ( -0.000 -0.629 -0.000) 0.629 31.426 ( -0.000 -1.308 -0.000) 1.308 31.790 ( -0.000 -2.232 -0.000) 2.232 32.230 ( 0.000 0.868 0.000) 0.868 ======================= Grid point 55 (52/105) ======================= q-point: ( 0.10 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 25.542 0.671 -3.028) 25.730 3.976 ( -5.163 -2.454 -10.989) 12.387 4.884 ( 11.488 4.313 5.254) 13.348 5.219 ( 10.236 3.550 9.613) 14.484 5.298 ( 8.521 2.481 2.908) 9.339 5.767 ( -2.631 6.566 7.599) 10.382 6.364 ( 37.960 2.729 27.145) 46.746 6.781 ( 31.835 17.323 21.551) 42.166 7.804 ( 0.628 0.532 -0.243) 0.858 8.150 ( 2.948 1.682 3.942) 5.202 8.258 ( -4.109 -1.902 0.020) 4.527 9.298 ( 1.306 -10.614 -10.105) 14.713 9.705 ( 54.380 6.356 27.774) 61.392 9.995 ( 1.143 -17.240 -12.733) 21.463 10.251 ( -8.522 20.341 3.228) 22.289 10.395 ( -3.458 1.063 -3.945) 5.353 10.858 ( 2.937 3.288 16.337) 16.921 11.228 ( -19.533 -4.013 9.647) 22.151 11.522 ( 14.720 23.545 -9.972) 29.504 12.718 ( -8.503 -14.992 -11.687) 20.825 12.756 ( -13.540 -13.540 -20.012) 27.697 13.248 ( 2.018 -4.642 -12.155) 13.167 13.453 ( 7.032 -4.429 -7.976) 11.519 13.774 ( 5.810 -6.311 4.015) 9.471 14.965 ( 5.515 -0.111 13.210) 14.316 15.543 ( 19.613 0.246 -2.526) 19.776 15.654 ( 3.262 1.437 3.150) 4.757 15.850 ( -5.617 3.721 1.265) 6.856 16.315 ( -12.812 1.028 -6.418) 14.366 16.857 ( 4.532 -7.825 -4.402) 10.058 17.070 ( -6.445 -10.903 -7.817) 14.883 17.183 ( 8.988 13.426 -4.573) 16.791 17.334 ( -9.451 2.052 6.427) 11.612 17.617 ( -5.281 15.141 4.933) 16.777 17.689 ( -0.791 1.981 -4.770) 5.225 17.734 ( 1.477 4.907 -12.265) 13.292 18.147 ( 8.151 6.601 1.918) 10.662 18.244 ( 19.554 1.836 -3.975) 20.038 18.598 ( -7.294 -10.616 -7.575) 14.943 18.683 ( 6.096 -8.635 1.476) 10.673 18.907 ( 2.076 -2.532 1.320) 3.530 19.129 ( 10.687 -0.467 3.673) 11.310 19.196 ( 7.677 2.649 15.544) 17.537 19.544 ( 2.602 -2.839 2.663) 4.682 19.694 ( -17.235 1.553 -14.502) 22.578 19.765 ( -5.181 -6.849 -3.926) 9.442 20.134 ( 6.012 3.943 -3.218) 7.877 20.372 ( -11.086 0.624 0.971) 11.146 20.475 ( 5.021 1.707 12.678) 13.742 20.620 ( 1.125 -3.085 4.205) 5.335 20.853 ( -5.239 -4.905 2.098) 7.477 21.216 ( -24.205 11.152 9.736) 28.373 21.464 ( -11.774 -7.472 -3.221) 14.312 21.622 ( -9.481 -5.693 -5.090) 12.174 21.848 ( -0.873 1.691 -1.707) 2.557 21.963 ( 5.323 0.619 1.591) 5.590 22.025 ( -1.673 3.884 -2.063) 4.705 22.276 ( 4.183 -1.196 2.354) 4.947 22.386 ( -2.215 2.276 3.766) 4.926 22.437 ( 6.169 -4.170 2.582) 7.881 22.676 ( 1.303 -9.240 -0.330) 9.337 22.731 ( 4.954 -4.862 0.975) 7.010 23.146 ( 2.955 0.181 -5.960) 6.655 23.219 ( 3.972 3.586 -5.057) 7.363 23.509 ( 4.477 2.164 0.716) 5.024 23.635 ( -0.693 10.302 2.340) 10.587 23.863 ( 1.111 2.873 -3.591) 4.731 23.980 ( -15.979 -0.493 -0.279) 15.989 24.063 ( -6.352 1.972 5.931) 8.911 24.088 ( -8.699 2.310 3.353) 9.605 24.369 ( -4.470 0.154 -3.700) 5.805 24.398 ( -16.465 -2.370 -5.325) 17.466 24.851 ( 1.793 -1.471 -4.875) 5.398 25.097 ( 1.358 -0.337 2.566) 2.923 25.277 ( -3.730 -1.485 4.266) 5.858 25.385 ( -2.128 0.216 1.700) 2.733 25.513 ( 1.191 0.773 4.487) 4.706 25.570 ( -0.547 -0.319 2.910) 2.978 26.697 ( -3.382 1.887 -0.416) 3.895 26.832 ( -2.369 -1.142 1.591) 3.074 26.925 ( -0.070 0.093 2.712) 2.714 27.040 ( -5.024 -0.488 6.247) 8.032 27.852 ( -1.603 2.227 -7.351) 7.847 27.925 ( 6.490 -4.821 -5.408) 9.726 28.688 ( 7.209 5.252 -2.504) 9.264 29.117 ( 4.731 -2.391 -6.035) 8.033 29.778 ( 6.054 2.958 5.412) 8.642 29.976 ( 2.131 0.835 3.449) 4.140 30.259 ( 7.995 -1.538 -0.647) 8.168 30.325 ( 5.643 -1.753 -3.769) 7.009 30.572 ( -6.871 -1.189 2.075) 7.275 30.632 ( -4.143 1.130 5.906) 7.302 30.950 ( 1.146 0.390 0.459) 1.294 31.169 ( -3.155 -1.158 -6.156) 7.013 31.923 ( 3.745 -0.248 -0.518) 3.789 32.128 ( -2.904 0.023 0.161) 2.908 ======================= Grid point 59 (53/105) ======================= q-point: ( 0.49 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -28.474 -0.602 0.182) 28.481 3.899 ( -19.447 -6.880 -10.136) 22.984 4.813 ( 9.256 0.379 5.479) 10.763 5.085 ( -8.445 -0.374 0.023) 8.453 5.386 ( -16.530 24.683 9.589) 31.216 5.794 ( -10.479 9.639 1.839) 14.356 6.270 ( -12.867 29.263 12.983) 34.502 6.716 ( -18.260 23.587 28.739) 41.421 7.858 ( 1.043 0.767 0.456) 1.372 8.127 ( 0.027 3.916 3.834) 5.481 8.319 ( 0.758 -0.368 -0.418) 0.940 8.601 ( -68.080 48.560 11.659) 84.433 9.348 ( -4.041 -20.637 -20.894) 29.644 9.624 ( 10.580 -6.490 -17.074) 21.109 10.258 ( 5.589 -12.045 10.022) 16.636 10.891 ( 22.491 -9.622 1.251) 24.495 11.248 ( 8.991 -3.192 -1.334) 9.633 11.587 ( -10.287 19.546 -2.321) 22.210 12.002 ( 1.796 -0.298 -12.760) 12.889 12.482 ( 2.362 -7.716 5.652) 9.852 12.545 ( -5.790 -2.108 -1.861) 6.437 13.048 ( -23.466 11.831 -3.928) 26.572 13.555 ( 10.490 -0.943 -23.446) 25.703 13.792 ( -10.428 -5.531 -21.402) 24.441 14.919 ( 2.465 2.455 3.492) 4.929 15.182 ( 10.802 6.322 11.161) 16.770 15.708 ( -11.901 -4.108 -4.051) 13.226 15.842 ( -1.324 -3.790 -3.331) 5.216 16.525 ( 8.485 -2.659 1.826) 9.078 16.810 ( 2.296 -2.817 -8.613) 9.348 17.114 ( -2.064 -3.193 3.263) 5.010 17.246 ( 5.004 2.039 -7.627) 9.347 17.445 ( -7.820 -5.286 10.024) 13.769 17.622 ( -5.339 2.238 -7.624) 9.573 17.675 ( 7.633 -6.970 -1.394) 10.430 17.845 ( -10.747 -6.127 12.186) 17.365 17.885 ( -0.677 0.639 7.093) 7.154 18.107 ( 3.579 -5.417 -2.236) 6.867 18.375 ( -5.133 -0.718 -4.112) 6.616 18.608 ( -0.853 -6.792 4.316) 8.093 18.668 ( -6.286 -6.638 7.764) 11.994 18.992 ( -10.978 12.819 4.041) 17.355 19.065 ( -6.783 -3.251 10.654) 13.041 19.256 ( -3.042 -15.812 -5.005) 16.862 19.496 ( -11.836 5.664 12.164) 17.893 19.580 ( 25.830 -14.015 -5.987) 29.991 20.000 ( 8.019 -4.271 -4.655) 10.209 20.364 ( 7.432 11.802 5.266) 14.908 20.535 ( -2.055 -6.139 1.174) 6.579 20.921 ( 6.279 1.710 -9.015) 11.118 21.066 ( 5.013 5.877 7.805) 10.981 21.321 ( 7.537 6.198 -2.883) 10.175 21.506 ( 2.660 -2.356 8.535) 9.245 21.604 ( -0.133 -5.430 -2.653) 6.045 21.735 ( 2.374 3.760 8.746) 9.811 21.880 ( -8.483 -8.146 -0.750) 11.785 22.076 ( -6.884 7.534 2.077) 10.414 22.226 ( 2.345 1.110 -5.306) 5.907 22.363 ( -1.332 3.175 0.713) 3.516 22.447 ( -0.872 -0.720 -2.198) 2.471 22.566 ( -1.338 0.720 -1.731) 2.304 22.641 ( -2.520 -1.117 2.058) 3.440 23.229 ( -7.591 -3.048 -0.235) 8.184 23.392 ( 4.265 1.172 -5.066) 6.725 23.547 ( -0.717 4.241 0.924) 4.399 23.764 ( 4.417 -2.646 -0.314) 5.159 23.940 ( -2.433 1.251 0.517) 2.784 24.011 ( 0.308 -3.547 0.928) 3.679 24.111 ( -4.718 5.630 -0.500) 7.362 24.514 ( 7.226 2.278 -0.834) 7.622 24.672 ( 8.557 6.883 -2.443) 11.251 24.862 ( 4.475 -3.815 -7.516) 9.543 24.930 ( 19.582 -2.254 -6.925) 20.893 25.052 ( 6.709 -1.998 0.806) 7.046 25.299 ( 9.810 0.130 2.160) 10.045 25.406 ( 2.947 0.902 7.744) 8.334 25.538 ( 4.955 3.841 -0.920) 6.337 25.603 ( 12.741 5.843 1.795) 14.131 26.740 ( -1.132 -1.942 -0.934) 2.435 26.847 ( 4.331 1.374 0.176) 4.547 26.882 ( 1.555 0.322 2.219) 2.729 27.004 ( 3.584 0.671 6.295) 7.275 27.608 ( -8.724 -6.301 -1.634) 10.885 28.234 ( 0.896 6.647 -7.078) 9.751 28.797 ( -14.654 5.683 -3.713) 16.150 29.013 ( -3.124 -4.656 -4.455) 7.161 29.758 ( -3.802 -1.573 0.652) 4.165 29.912 ( -3.841 4.946 3.343) 7.099 30.062 ( -4.440 0.549 -2.153) 4.965 30.178 ( -5.577 -1.826 -2.011) 6.203 30.453 ( 0.576 -1.468 9.616) 9.745 30.799 ( 7.091 3.087 -0.755) 7.771 30.923 ( -1.362 0.311 0.589) 1.516 31.229 ( 2.348 -3.810 -3.083) 5.434 31.793 ( -4.941 -1.708 0.750) 5.281 32.212 ( 2.676 0.840 -0.667) 2.883 ======================= Grid point 60 (54/105) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 23.425 -0.000 0.000) 23.425 3.194 ( 79.250 -0.000 0.000) 79.250 3.534 ( 79.442 -0.000 0.000) 79.442 4.702 ( -16.351 0.000 -0.000) 16.351 4.862 ( 53.180 -0.000 0.000) 53.180 5.322 ( 2.032 -0.000 0.000) 2.032 5.797 ( 2.694 -0.000 0.000) 2.694 5.883 ( 90.321 -0.000 0.000) 90.321 5.885 ( 3.137 -0.000 0.000) 3.137 7.883 ( 4.787 -0.000 0.000) 4.787 7.960 ( 5.764 -0.000 0.000) 5.764 8.352 ( 0.386 -0.000 0.000) 0.386 9.879 ( 10.196 -0.000 0.000) 10.196 9.944 ( -14.261 0.000 -0.000) 14.261 10.055 ( -11.743 0.000 -0.000) 11.743 10.490 ( -3.608 0.000 -0.000) 3.608 10.929 ( 14.130 -0.000 0.000) 14.130 11.594 ( -27.926 0.000 -0.000) 27.926 12.009 ( 0.459 -0.000 0.000) 0.459 13.110 ( -9.237 0.000 -0.000) 9.237 13.431 ( 11.254 -0.000 0.000) 11.254 13.534 ( 9.785 -0.000 0.000) 9.785 14.099 ( -15.390 0.000 -0.000) 15.390 14.140 ( -22.481 0.000 -0.000) 22.481 14.443 ( -6.780 0.000 -0.000) 6.780 15.025 ( -2.013 0.000 -0.000) 2.013 15.869 ( -2.600 0.000 -0.000) 2.600 15.910 ( 6.564 -0.000 0.000) 6.564 16.467 ( 6.244 -0.000 0.000) 6.244 16.699 ( -7.081 0.000 -0.000) 7.081 16.958 ( 4.617 -0.000 0.000) 4.617 17.233 ( 9.033 -0.000 0.000) 9.033 17.364 ( 0.915 -0.000 0.000) 0.915 17.669 ( -5.368 0.000 -0.000) 5.368 17.778 ( 5.054 -0.000 0.000) 5.054 17.828 ( -0.703 0.000 -0.000) 0.703 17.844 ( 16.168 -0.000 0.000) 16.168 18.174 ( 10.616 -0.000 0.000) 10.616 18.479 ( 4.174 -0.000 0.000) 4.174 18.586 ( -4.740 0.000 -0.000) 4.740 18.605 ( 35.024 -0.000 0.000) 35.024 18.664 ( 18.343 -0.000 0.000) 18.343 19.038 ( -8.011 0.000 -0.000) 8.011 19.599 ( 36.401 -0.000 0.000) 36.401 19.870 ( -11.396 0.000 -0.000) 11.396 20.034 ( -8.756 0.000 -0.000) 8.756 20.483 ( -9.396 0.000 -0.000) 9.396 20.549 ( -10.308 0.000 -0.000) 10.308 20.578 ( -20.708 0.000 -0.000) 20.708 20.811 ( -10.367 0.000 -0.000) 10.367 20.844 ( -3.969 0.000 -0.000) 3.969 21.019 ( -4.574 0.000 -0.000) 4.574 21.300 ( 0.211 -0.000 0.000) 0.211 21.506 ( -4.785 0.000 -0.000) 4.785 21.924 ( 3.388 -0.000 0.000) 3.388 22.139 ( -2.908 0.000 -0.000) 2.908 22.173 ( -3.581 0.000 -0.000) 3.581 22.252 ( -7.144 0.000 -0.000) 7.144 22.361 ( 3.980 -0.000 0.000) 3.980 22.479 ( -3.587 0.000 -0.000) 3.587 22.604 ( 0.266 -0.000 0.000) 0.266 22.764 ( -2.676 0.000 -0.000) 2.676 23.229 ( 0.536 -0.000 0.000) 0.536 23.236 ( 0.210 -0.000 0.000) 0.210 23.406 ( -9.330 0.000 -0.000) 9.330 23.681 ( 3.479 -0.000 0.000) 3.479 23.902 ( 11.591 -0.000 0.000) 11.591 23.955 ( -8.564 0.000 -0.000) 8.564 24.036 ( 0.721 -0.000 0.000) 0.721 24.070 ( -1.576 0.000 -0.000) 1.576 24.464 ( -4.347 0.000 -0.000) 4.347 25.135 ( -2.888 0.000 -0.000) 2.888 25.155 ( -9.538 0.000 -0.000) 9.538 25.196 ( -20.408 0.000 -0.000) 20.408 25.211 ( -16.902 0.000 -0.000) 16.902 25.295 ( 3.912 -0.000 0.000) 3.912 25.317 ( -3.782 0.000 -0.000) 3.782 25.443 ( 1.048 -0.000 0.000) 1.048 26.751 ( -3.291 0.000 -0.000) 3.291 26.798 ( 1.280 -0.000 0.000) 1.280 26.806 ( 4.494 -0.000 0.000) 4.494 26.931 ( -6.337 0.000 -0.000) 6.337 27.985 ( 14.884 -0.000 0.000) 14.884 28.056 ( -2.184 0.000 -0.000) 2.184 28.513 ( 12.197 -0.000 0.000) 12.197 29.227 ( 4.262 -0.000 0.000) 4.262 29.512 ( 5.833 -0.000 0.000) 5.833 29.838 ( -0.075 0.000 -0.000) 0.075 30.193 ( 6.982 -0.000 0.000) 6.982 30.409 ( -2.589 0.000 -0.000) 2.589 30.482 ( 0.155 -0.000 0.000) 0.155 30.695 ( -5.389 0.000 -0.000) 5.389 30.905 ( 0.025 -0.000 0.000) 0.025 31.393 ( -2.588 0.000 -0.000) 2.588 31.872 ( 2.905 -0.000 0.000) 2.905 32.180 ( -2.200 0.000 -0.000) 2.200 ======================= Grid point 61 (55/105) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.327 ( -22.488 0.000 -3.564) 22.768 3.673 ( 14.776 -0.000 -5.801) 15.874 4.969 ( -9.598 0.000 9.324) 13.382 5.241 ( -5.097 0.000 3.398) 6.125 5.504 ( 4.609 -0.000 -3.788) 5.966 5.754 ( 10.430 -0.000 -1.189) 10.498 7.465 ( 3.086 0.000 -8.646) 9.180 7.731 ( -1.193 -0.000 2.297) 2.588 7.915 ( 11.998 -0.000 -2.068) 12.175 8.251 ( 3.353 -0.000 0.604) 3.407 8.487 ( 9.567 0.000 -20.124) 22.282 9.253 ( -12.511 0.000 11.858) 17.238 9.258 ( -11.469 -0.000 13.718) 17.881 9.655 ( -5.407 -0.000 15.642) 16.550 9.888 ( 4.382 -0.000 13.609) 14.297 10.390 ( -6.163 0.000 -17.696) 18.738 11.551 ( 1.338 -0.000 -0.644) 1.485 11.745 ( 13.115 0.000 -17.387) 21.779 12.153 ( 33.798 -0.000 -4.677) 34.120 12.296 ( -27.911 0.000 -0.753) 27.921 12.795 ( -9.320 0.000 -4.653) 10.417 13.234 ( -0.540 0.000 -7.658) 7.677 13.300 ( 5.236 0.000 -9.781) 11.094 14.091 ( 0.092 -0.000 2.457) 2.458 15.053 ( -0.827 -0.000 24.733) 24.747 15.488 ( -1.902 -0.000 7.808) 8.036 15.727 ( -8.832 0.000 -13.345) 16.002 16.056 ( 10.395 -0.000 -7.912) 13.064 16.269 ( -9.026 0.000 3.357) 9.630 16.755 ( -1.434 0.000 -6.399) 6.557 17.020 ( 0.347 -0.000 2.692) 2.714 17.126 ( -0.888 0.000 -0.276) 0.930 17.269 ( -4.262 -0.000 7.120) 8.298 17.292 ( -3.761 0.000 -0.370) 3.779 17.434 ( 13.629 -0.000 -1.209) 13.682 17.954 ( -18.389 0.000 -5.540) 19.205 18.185 ( -19.396 0.000 -9.402) 21.554 18.192 ( 15.451 -0.000 0.245) 15.453 18.477 ( -21.097 0.000 6.908) 22.199 18.504 ( 6.709 0.000 -7.996) 10.437 18.663 ( -21.720 0.000 -1.564) 21.776 18.849 ( -7.687 -0.000 12.542) 14.711 19.329 ( 7.026 -0.000 21.724) 22.831 19.363 ( 9.939 -0.000 8.864) 13.317 19.759 ( -20.761 0.000 6.534) 21.765 20.069 ( -3.888 0.000 -5.325) 6.593 20.149 ( 6.276 -0.000 -0.912) 6.342 20.433 ( -13.957 0.000 -11.064) 17.810 20.486 ( 22.803 -0.000 22.501) 32.035 20.642 ( 15.390 -0.000 1.314) 15.446 20.961 ( 23.605 -0.000 -9.801) 25.559 21.094 ( 8.483 -0.000 2.740) 8.915 21.334 ( -0.816 0.000 -3.842) 3.928 21.418 ( -3.999 0.000 -13.194) 13.787 21.681 ( -0.416 0.000 -2.261) 2.299 22.054 ( 2.679 0.000 -5.686) 6.285 22.108 ( -3.469 -0.000 5.999) 6.930 22.236 ( 1.264 -0.000 -1.120) 1.689 22.396 ( -8.646 0.000 8.055) 11.817 22.611 ( -1.772 0.000 -0.267) 1.792 22.814 ( -5.152 0.000 -3.250) 6.091 22.829 ( -6.507 0.000 -0.828) 6.559 23.220 ( 3.034 0.000 -8.862) 9.367 23.300 ( -0.991 0.000 -5.308) 5.399 23.428 ( -11.647 0.000 3.793) 12.249 23.565 ( 18.748 -0.000 2.821) 18.959 23.799 ( 20.353 -0.000 6.402) 21.337 23.817 ( 1.838 -0.000 1.872) 2.623 24.010 ( -2.095 0.000 1.803) 2.764 24.078 ( 3.295 -0.000 1.394) 3.577 24.145 ( 5.121 0.000 -15.298) 16.133 24.323 ( 2.364 0.000 -5.218) 5.729 24.828 ( -8.774 0.000 2.321) 9.076 25.214 ( 2.369 -0.000 0.743) 2.483 25.282 ( 4.151 -0.000 -1.282) 4.345 25.307 ( 1.685 -0.000 7.345) 7.536 25.542 ( -1.805 0.000 -0.148) 1.811 25.558 ( 0.475 -0.000 5.023) 5.045 26.604 ( 0.433 -0.000 -0.445) 0.621 26.806 ( 1.446 -0.000 1.284) 1.934 26.834 ( -0.294 -0.000 6.059) 6.066 27.029 ( 2.224 -0.000 3.427) 4.086 27.715 ( -4.524 0.000 -1.314) 4.712 28.155 ( 2.301 0.000 -11.360) 11.591 28.772 ( 0.302 0.000 -5.829) 5.837 29.199 ( -3.426 0.000 -5.406) 6.401 29.914 ( 0.141 -0.000 5.148) 5.150 30.017 ( 1.232 -0.000 2.047) 2.389 30.298 ( -6.494 0.000 -0.536) 6.516 30.342 ( -4.863 0.000 3.496) 5.989 30.552 ( 6.632 -0.000 -4.028) 7.759 30.604 ( 2.308 -0.000 8.554) 8.860 30.959 ( -1.246 0.000 -4.129) 4.313 31.079 ( -0.956 0.000 -1.238) 1.564 31.962 ( -3.507 0.000 0.069) 3.508 32.096 ( 2.885 -0.000 -0.092) 2.887 ======================= Grid point 62 (56/105) ======================= q-point: (-0.11 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -24.288 0.000 -2.148) 24.383 3.394 ( -22.638 0.000 -7.241) 23.768 3.782 ( -30.043 0.000 -68.668) 74.952 4.348 ( -16.408 0.000 -58.780) 61.027 5.066 ( 2.195 0.000 -4.356) 4.878 5.151 ( -1.297 -0.000 4.004) 4.209 5.677 ( -51.935 0.000 -61.184) 80.254 6.124 ( 1.190 0.000 -13.640) 13.692 6.823 ( -13.154 0.000 -37.952) 40.167 7.809 ( -0.931 0.000 -6.168) 6.238 8.299 ( -3.871 0.000 1.326) 4.092 8.908 ( 17.722 -0.000 -7.384) 19.199 9.486 ( -2.734 -0.000 4.031) 4.871 9.759 ( -13.584 -0.000 38.387) 40.719 10.075 ( 6.048 -0.000 10.977) 12.533 10.435 ( -12.270 0.000 -4.387) 13.030 10.779 ( 6.842 -0.000 -3.588) 7.725 11.669 ( 23.328 -0.000 7.660) 24.553 11.918 ( 7.829 -0.000 -0.587) 7.851 12.749 ( -22.138 -0.000 35.546) 41.876 12.979 ( 9.757 -0.000 30.999) 32.498 13.179 ( -6.588 0.000 1.893) 6.854 13.609 ( -0.189 -0.000 9.173) 9.175 14.001 ( 1.761 -0.000 1.750) 2.483 14.642 ( -4.466 0.000 -1.914) 4.859 14.930 ( -1.592 -0.000 1.785) 2.392 15.815 ( 8.047 -0.000 0.979) 8.106 16.118 ( 3.098 0.000 -3.442) 4.631 16.589 ( 1.691 -0.000 4.985) 5.264 16.873 ( 5.481 -0.000 -5.209) 7.562 16.997 ( -0.977 0.000 -11.295) 11.337 17.227 ( -8.712 0.000 2.161) 8.976 17.357 ( -0.283 0.000 -3.426) 3.438 17.498 ( 6.982 -0.000 7.421) 10.190 17.532 ( -0.900 -0.000 1.988) 2.182 17.916 ( 9.369 0.000 -12.065) 15.276 18.022 ( 8.275 -0.000 -8.309) 11.726 18.089 ( -0.042 -0.000 11.478) 11.478 18.257 ( -5.035 0.000 -9.501) 10.753 18.471 ( -11.363 0.000 -2.052) 11.546 18.595 ( -28.879 0.000 -24.392) 37.802 18.732 ( -1.750 0.000 -0.138) 1.755 19.086 ( 1.428 -0.000 8.585) 8.703 19.340 ( -25.296 0.000 -10.511) 27.393 19.494 ( 17.706 -0.000 25.492) 31.038 19.652 ( -6.388 -0.000 9.314) 11.294 20.192 ( -4.178 -0.000 20.225) 20.652 20.194 ( -1.353 0.000 -12.730) 12.801 20.313 ( -6.037 -0.000 16.419) 17.494 21.102 ( 14.551 -0.000 -5.035) 15.398 21.307 ( 1.383 -0.000 5.536) 5.706 21.524 ( -6.268 0.000 -3.026) 6.960 21.858 ( 12.568 0.000 -18.650) 22.489 21.937 ( 0.029 0.000 -11.652) 11.652 21.951 ( 1.595 -0.000 2.281) 2.783 22.088 ( -2.500 0.000 0.257) 2.513 22.145 ( 2.811 -0.000 7.653) 8.153 22.273 ( -1.368 -0.000 5.385) 5.556 22.435 ( 3.408 -0.000 -1.357) 3.669 22.756 ( 12.305 0.000 -13.815) 18.500 22.853 ( -0.467 0.000 -4.403) 4.428 22.866 ( 3.909 0.000 -9.547) 10.317 23.077 ( 18.211 -0.000 14.479) 23.266 23.150 ( 0.356 -0.000 4.617) 4.631 23.367 ( 0.059 -0.000 7.684) 7.684 23.586 ( 6.715 -0.000 -2.812) 7.280 23.790 ( -1.573 0.000 -4.522) 4.788 24.071 ( 0.791 -0.000 -0.259) 0.832 24.192 ( -0.121 0.000 0.096) 0.154 24.225 ( -11.860 0.000 4.260) 12.601 24.324 ( -3.536 0.000 -4.112) 5.423 24.881 ( 10.638 -0.000 2.022) 10.829 25.113 ( -0.399 0.000 -4.829) 4.846 25.199 ( 0.299 -0.000 5.687) 5.695 25.356 ( 1.561 -0.000 -0.643) 1.688 25.516 ( 2.216 -0.000 2.856) 3.615 25.692 ( 11.227 -0.000 -4.307) 12.025 25.774 ( 14.692 -0.000 -1.971) 14.823 26.714 ( -3.882 0.000 0.490) 3.913 26.806 ( -4.486 0.000 -3.554) 5.723 26.913 ( 1.827 -0.000 -1.796) 2.562 27.196 ( 0.355 0.000 -2.937) 2.958 27.683 ( -5.756 0.000 -4.992) 7.620 27.865 ( 0.510 -0.000 10.780) 10.792 28.425 ( -2.771 0.000 -5.880) 6.500 28.971 ( -2.384 -0.000 8.117) 8.460 29.480 ( -5.737 0.000 -2.453) 6.239 29.906 ( -0.049 0.000 -3.745) 3.746 29.953 ( -6.234 0.000 2.892) 6.872 30.100 ( -8.349 0.000 1.716) 8.524 30.668 ( 0.627 0.000 -6.833) 6.862 30.854 ( 4.120 -0.000 -3.202) 5.218 30.937 ( 0.322 0.000 -0.626) 0.704 31.260 ( 0.977 -0.000 7.588) 7.650 31.805 ( -2.176 0.000 1.679) 2.749 32.207 ( 1.160 -0.000 -0.290) 1.196 ======================= Grid point 63 (57/105) ======================= q-point: ( 0.28 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 25.027 0.497 0.681) 25.041 3.787 ( -0.221 -0.651 -1.727) 1.859 4.976 ( 7.166 1.471 -0.700) 7.349 5.197 ( 5.104 -0.133 -1.106) 5.224 5.637 ( -5.221 6.906 6.864) 11.048 5.781 ( -6.061 -5.017 -3.666) 8.680 7.136 ( 13.891 4.970 13.207) 19.801 7.457 ( 15.201 6.304 11.344) 19.988 7.858 ( -1.740 -0.277 2.665) 3.195 8.083 ( -3.898 -3.232 -2.300) 5.561 8.499 ( 10.433 11.582 17.409) 23.368 8.759 ( 8.412 -13.524 -22.403) 27.487 8.991 ( 36.657 -11.876 -9.471) 39.679 10.393 ( 9.845 10.277 6.413) 15.610 10.535 ( -22.561 8.121 0.076) 23.978 10.700 ( -4.531 18.984 -11.294) 22.550 11.067 ( -10.001 -18.450 16.802) 26.884 11.257 ( 10.415 -11.430 0.102) 15.464 11.689 ( 0.834 1.414 1.122) 1.988 12.446 ( -11.350 12.375 0.848) 16.813 12.520 ( 0.813 3.780 -5.323) 6.579 12.862 ( 6.786 -17.455 3.559) 19.063 13.241 ( 22.104 -3.796 -1.638) 22.487 13.587 ( 23.104 -6.243 -1.320) 23.969 15.118 ( 9.541 -0.900 2.453) 9.892 15.574 ( 5.670 2.462 2.157) 6.547 15.710 ( 2.802 4.512 -8.824) 10.299 15.836 ( 6.214 -5.810 4.470) 9.610 16.317 ( -6.023 2.572 0.073) 6.550 16.626 ( -0.878 -0.502 -3.103) 3.264 16.846 ( -2.409 -2.376 0.860) 3.491 17.101 ( -0.993 -2.785 -4.676) 5.533 17.468 ( -10.015 -0.174 2.840) 10.411 17.548 ( -15.148 -1.174 -0.196) 15.195 17.880 ( 8.762 15.946 -0.909) 18.218 18.028 ( 16.714 3.904 -4.564) 17.760 18.086 ( 3.320 2.861 0.761) 4.448 18.359 ( 2.099 -3.862 -0.224) 4.401 18.488 ( -2.931 -4.127 4.406) 6.710 18.663 ( -5.834 -1.616 -2.476) 6.540 18.841 ( 4.000 22.122 -1.189) 22.512 19.077 ( -0.240 1.031 -3.547) 3.701 19.286 ( -3.930 -10.567 -7.435) 13.505 19.400 ( 14.118 -3.541 2.446) 14.760 19.670 ( -5.135 2.947 6.955) 9.134 19.812 ( -14.245 -2.996 -3.045) 14.872 20.057 ( 6.434 4.609 -8.155) 11.364 20.215 ( 2.658 -8.821 3.803) 9.967 20.596 ( -20.892 -4.275 1.958) 21.415 20.822 ( 12.406 -0.732 2.793) 12.738 20.913 ( 10.978 4.436 8.877) 14.799 21.144 ( -7.143 -9.199 -7.331) 13.761 21.492 ( -9.434 3.967 -1.419) 10.332 21.520 ( -15.537 2.021 2.004) 15.796 21.913 ( -7.778 3.038 -1.119) 8.425 21.970 ( -1.774 2.273 -1.327) 3.174 22.087 ( 4.031 -0.582 6.806) 7.932 22.173 ( 6.487 -8.761 -2.146) 11.110 22.388 ( 1.586 1.138 -5.165) 5.521 22.414 ( 1.501 1.269 -0.060) 1.967 22.580 ( -12.462 -2.841 1.406) 12.859 22.661 ( 10.854 -1.515 -1.197) 11.024 23.071 ( 7.180 -0.695 1.739) 7.420 23.263 ( -2.394 1.543 1.787) 3.362 23.546 ( 7.385 1.362 -0.337) 7.517 23.801 ( 2.668 3.318 0.180) 4.261 23.911 ( -4.028 2.011 0.936) 4.598 24.024 ( -10.964 1.271 5.134) 12.173 24.079 ( -7.756 -2.622 -5.450) 9.835 24.228 ( -6.121 0.538 5.010) 7.929 24.272 ( -8.160 -0.711 -3.243) 8.810 24.310 ( -20.703 0.529 0.450) 20.714 24.751 ( 3.387 -0.534 -1.758) 3.853 25.113 ( -1.090 -1.436 1.180) 2.155 25.347 ( 0.461 0.521 0.249) 0.739 25.419 ( -5.276 -0.379 1.029) 5.388 25.571 ( 0.114 0.426 -2.221) 2.264 25.581 ( 0.998 -0.452 1.708) 2.030 26.745 ( -2.381 3.879 -0.786) 4.618 26.817 ( -2.279 -3.155 0.542) 3.929 26.939 ( -0.492 0.248 -0.846) 1.010 27.103 ( -4.890 -0.400 0.277) 4.914 27.752 ( 2.055 2.746 -5.133) 6.173 27.845 ( 1.387 -3.917 5.242) 6.689 28.790 ( 6.250 4.173 2.151) 7.816 28.965 ( 4.491 -3.143 -1.635) 5.720 29.938 ( 6.069 2.618 1.878) 6.871 30.027 ( 1.544 0.149 0.678) 1.693 30.139 ( 6.182 -2.850 -2.205) 7.156 30.303 ( 10.003 0.889 -0.524) 10.056 30.572 ( -8.708 -1.168 0.867) 8.829 30.749 ( -4.341 0.169 0.803) 4.418 30.958 ( 0.722 0.755 -0.564) 1.187 31.050 ( -1.571 -0.594 -0.912) 1.912 31.912 ( 4.219 0.184 -0.388) 4.241 32.131 ( -3.076 -0.207 0.262) 3.094 ======================= Grid point 65 (58/105) ======================= q-point: ( 0.28 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 0.000 5.245 5.274) 7.438 3.217 ( 0.000 18.185 9.523) 20.528 3.592 ( 0.000 59.831 48.065) 76.746 4.093 ( 0.000 45.058 34.072) 56.490 5.057 ( -0.000 -0.201 1.805) 1.816 5.150 ( 0.000 5.890 0.107) 5.891 5.489 ( 0.000 85.069 44.194) 95.864 6.165 ( -0.000 0.094 0.900) 0.905 6.400 ( -0.000 5.982 19.110) 20.024 7.833 ( 0.000 2.395 -2.042) 3.148 8.121 ( -0.000 -3.121 14.707) 15.034 8.309 ( 0.000 0.741 -0.964) 1.216 9.748 ( 0.000 -18.683 -34.190) 38.962 9.764 ( 0.000 6.137 -23.922) 24.697 10.483 ( -0.000 -5.912 3.639) 6.942 10.927 ( 0.000 20.820 10.894) 23.498 11.625 ( -0.000 -23.085 5.236) 23.671 11.828 ( 0.000 15.967 -22.699) 27.752 11.974 ( 0.000 3.014 2.814) 4.123 12.450 ( -0.000 -34.063 8.510) 35.109 12.598 ( -0.000 -10.171 -5.033) 11.349 12.756 ( -0.000 -18.549 -2.898) 18.774 13.866 ( 0.000 -0.119 -33.511) 33.511 13.944 ( 0.000 -17.508 -43.335) 46.738 14.849 ( 0.000 5.388 -8.839) 10.352 15.253 ( 0.000 10.339 -3.035) 10.775 15.530 ( -0.000 -8.107 3.385) 8.785 16.072 ( -0.000 -4.131 5.623) 6.977 16.727 ( -0.000 3.641 19.642) 19.976 16.901 ( 0.000 4.950 -7.852) 9.282 16.965 ( 0.000 4.043 0.037) 4.043 17.211 ( -0.000 -4.801 -4.779) 6.774 17.424 ( -0.000 4.102 9.456) 10.307 17.649 ( -0.000 0.158 8.298) 8.300 17.739 ( -0.000 6.077 18.812) 19.769 17.773 ( -0.000 -12.580 4.317) 13.300 17.889 ( 0.000 3.466 -11.026) 11.558 18.046 ( 0.000 1.835 -2.409) 3.028 18.227 ( 0.000 3.335 2.986) 4.476 18.465 ( -0.000 0.491 30.024) 30.028 18.499 ( 0.000 -2.137 -9.704) 9.937 18.605 ( 0.000 15.972 9.586) 18.628 18.877 ( 0.000 11.734 -0.756) 11.758 19.185 ( -0.000 -1.290 -1.075) 1.679 19.764 ( -0.000 -20.933 -8.810) 22.712 19.828 ( 0.000 0.639 -12.804) 12.820 20.074 ( -0.000 -4.990 1.020) 5.093 20.629 ( 0.000 -1.044 -35.293) 35.308 20.817 ( 0.000 5.306 -7.525) 9.208 20.926 ( -0.000 0.352 12.756) 12.761 20.999 ( -0.000 -2.519 0.023) 2.519 21.598 ( -0.000 -6.829 4.164) 7.998 21.614 ( 0.000 4.727 -2.360) 5.283 21.671 ( -0.000 2.422 5.150) 5.691 21.728 ( -0.000 -9.547 2.605) 9.896 21.852 ( -0.000 -12.148 2.786) 12.464 22.103 ( 0.000 2.310 3.392) 4.104 22.292 ( -0.000 -4.150 25.496) 25.831 22.456 ( -0.000 -3.793 0.992) 3.921 22.497 ( 0.000 -0.447 -9.221) 9.232 22.561 ( -0.000 -3.435 6.804) 7.622 22.661 ( -0.000 -6.531 12.430) 14.042 23.088 ( -0.000 -7.166 0.339) 7.174 23.245 ( 0.000 15.310 -0.856) 15.334 23.649 ( 0.000 5.275 2.692) 5.922 23.782 ( -0.000 -13.375 -1.851) 13.503 23.866 ( 0.000 -0.477 -7.405) 7.420 23.978 ( 0.000 3.120 -3.056) 4.367 24.099 ( -0.000 -2.445 -0.758) 2.560 24.503 ( 0.000 3.065 -2.159) 3.749 24.608 ( 0.000 16.247 0.322) 16.250 24.878 ( 0.000 -1.223 -6.527) 6.641 25.179 ( -0.000 -5.527 -4.005) 6.825 25.236 ( 0.000 3.130 -2.834) 4.222 25.366 ( -0.000 1.448 10.728) 10.825 25.459 ( 0.000 7.290 0.499) 7.307 25.877 ( 0.000 0.304 -3.684) 3.696 26.281 ( 0.000 6.960 -7.141) 9.972 26.608 ( 0.000 0.488 -1.449) 1.528 26.736 ( -0.000 1.526 3.725) 4.025 26.917 ( 0.000 1.535 -0.211) 1.550 27.096 ( -0.000 -0.958 5.275) 5.362 27.458 ( -0.000 -4.800 2.083) 5.233 28.134 ( 0.000 4.676 -6.687) 8.160 28.346 ( 0.000 3.161 3.664) 4.839 29.035 ( -0.000 -3.051 -4.869) 5.746 29.588 ( 0.000 8.005 -0.584) 8.026 29.764 ( -0.000 -4.898 0.907) 4.982 29.943 ( 0.000 3.405 1.107) 3.580 30.025 ( 0.000 0.821 -2.374) 2.512 30.495 ( -0.000 -1.731 8.125) 8.308 30.898 ( 0.000 2.939 0.856) 3.061 30.912 ( -0.000 -0.657 0.657) 0.930 31.347 ( -0.000 -2.420 -3.952) 4.634 31.736 ( -0.000 -3.267 0.436) 3.295 32.245 ( 0.000 1.124 -0.628) 1.287 ======================= Grid point 66 (59/105) ======================= q-point: (-0.32 0.32 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.565 ( 26.566 2.279 0.000) 26.664 3.904 ( -24.492 -1.831 -0.000) 24.561 4.862 ( -8.280 -9.277 -0.000) 12.435 5.102 ( 9.284 0.460 0.000) 9.296 5.484 ( 7.051 1.539 0.000) 7.217 5.553 ( 8.062 -0.379 0.000) 8.071 6.883 ( 56.658 -8.052 0.000) 57.227 7.130 ( 36.436 -8.264 0.000) 37.362 7.979 ( 3.520 4.646 0.000) 5.829 8.131 ( -8.370 10.430 0.000) 13.373 8.556 ( 30.732 -2.462 0.000) 30.831 9.094 ( -15.130 10.779 0.000) 18.578 9.405 ( -22.097 -8.252 -0.000) 23.588 9.607 ( -20.096 -3.141 -0.000) 20.340 9.935 ( -6.147 -21.052 -0.000) 21.931 10.807 ( 63.513 -13.968 0.000) 65.031 10.961 ( 3.703 18.255 0.000) 18.627 11.229 ( 13.489 -8.038 -0.000) 15.702 11.922 ( -13.000 2.139 -0.000) 13.175 12.982 ( -3.343 7.996 0.000) 8.667 13.238 ( -7.853 -2.025 -0.000) 8.110 13.436 ( -8.104 18.555 0.000) 20.248 13.775 ( 5.127 1.678 0.000) 5.395 13.779 ( -0.720 5.863 0.000) 5.907 14.302 ( 0.218 -8.771 -0.000) 8.774 14.856 ( -3.214 1.485 0.000) 3.540 16.220 ( -6.142 2.186 -0.000) 6.520 16.272 ( 18.465 4.096 0.000) 18.914 16.466 ( 3.042 -11.514 -0.000) 11.909 16.665 ( -2.724 1.638 0.000) 3.179 17.184 ( -10.368 2.436 -0.000) 10.650 17.256 ( -2.859 -1.377 -0.000) 3.174 17.388 ( 5.527 -4.609 -0.000) 7.196 17.536 ( -17.041 3.408 -0.000) 17.378 17.746 ( -3.843 -5.407 -0.000) 6.634 17.784 ( 5.362 -16.190 -0.000) 17.055 18.347 ( -5.865 0.938 -0.000) 5.939 18.393 ( 2.160 2.836 0.000) 3.565 18.466 ( -8.100 5.605 0.000) 9.850 18.701 ( -4.682 6.457 0.000) 7.976 18.721 ( -5.610 1.942 -0.000) 5.937 18.823 ( 9.352 1.022 0.000) 9.408 19.233 ( -19.356 -14.510 -0.000) 24.191 19.303 ( 13.466 0.637 0.000) 13.481 19.617 ( -6.702 3.267 0.000) 7.456 20.106 ( -7.820 -0.079 -0.000) 7.821 20.157 ( -25.073 -5.088 -0.000) 25.584 20.295 ( 8.146 0.341 0.000) 8.153 20.372 ( 15.794 20.812 0.000) 26.126 20.543 ( -6.791 0.210 -0.000) 6.794 20.553 ( 0.014 -0.453 -0.000) 0.453 21.079 ( 12.206 0.153 0.000) 12.207 21.404 ( -10.662 17.189 0.000) 20.227 21.455 ( 2.432 0.934 0.000) 2.605 21.800 ( 6.864 -10.005 -0.000) 12.134 21.978 ( -1.320 -3.209 -0.000) 3.470 22.096 ( 10.274 -1.613 0.000) 10.400 22.223 ( -2.770 -7.025 -0.000) 7.552 22.360 ( 1.023 2.419 0.000) 2.626 22.528 ( 4.579 4.179 0.000) 6.199 22.914 ( 15.655 0.266 0.000) 15.657 22.919 ( 11.107 -0.915 0.000) 11.145 23.288 ( 3.253 1.440 0.000) 3.557 23.380 ( -2.216 -1.661 -0.000) 2.770 23.414 ( -7.463 -3.236 -0.000) 8.134 23.437 ( -14.889 -2.884 -0.000) 15.165 23.721 ( -8.291 -0.848 -0.000) 8.335 23.831 ( 1.922 3.309 0.000) 3.826 23.858 ( -6.880 -6.103 -0.000) 9.197 24.065 ( -0.376 -1.993 -0.000) 2.029 24.390 ( 1.989 1.706 0.000) 2.620 24.563 ( 5.527 -6.946 -0.000) 8.876 24.897 ( -10.498 7.712 0.000) 13.026 25.066 ( -2.018 5.920 0.000) 6.255 25.108 ( 4.379 -0.387 0.000) 4.396 25.230 ( -3.836 2.294 0.000) 4.469 25.430 ( -1.834 -4.955 -0.000) 5.283 25.472 ( 5.760 -0.006 0.000) 5.760 26.651 ( -1.423 -0.815 -0.000) 1.639 26.714 ( -2.267 0.689 -0.000) 2.370 26.770 ( -1.253 -1.439 -0.000) 1.908 26.866 ( -0.179 0.875 0.000) 0.893 27.949 ( -5.379 -3.982 -0.000) 6.692 28.299 ( 6.573 8.406 0.000) 10.670 28.997 ( 6.128 -7.445 -0.000) 9.643 29.383 ( 2.900 2.633 0.000) 3.917 29.737 ( 2.439 -2.596 -0.000) 3.562 29.849 ( 1.361 0.292 0.000) 1.392 30.294 ( -2.785 -0.507 -0.000) 2.831 30.332 ( 0.620 0.894 0.000) 1.088 30.476 ( -5.930 -0.853 -0.000) 5.991 30.519 ( 4.388 3.154 0.000) 5.404 31.006 ( 4.303 -1.136 0.000) 4.450 31.214 ( -5.854 1.479 -0.000) 6.038 32.007 ( 4.330 0.484 0.000) 4.357 32.059 ( -4.273 -0.340 -0.000) 4.286 ======================= Grid point 67 (60/105) ======================= q-point: (-0.32 -0.34 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -25.664 0.479 0.457) 25.672 3.653 ( -14.474 -1.724 -4.161) 15.158 4.904 ( 6.101 -0.360 2.998) 6.807 5.061 ( -3.600 -1.740 1.968) 4.457 5.625 ( 0.694 -6.020 -2.375) 6.509 5.963 ( 0.963 11.431 -3.719) 12.060 7.146 ( -6.142 7.980 8.975) 13.489 7.456 ( -6.524 6.755 -8.474) 12.649 8.064 ( -6.227 2.253 -19.278) 20.383 8.199 ( -3.285 8.096 -3.776) 9.518 8.247 ( -9.643 -0.670 8.776) 13.055 8.428 ( -12.164 7.716 0.463) 14.412 8.855 ( -21.460 6.425 -8.451) 23.942 9.743 ( -13.591 -19.140 20.741) 31.325 10.240 ( 1.715 -14.610 7.038) 16.307 10.758 ( 6.430 -3.021 -10.950) 13.052 11.115 ( 0.059 5.596 3.309) 6.501 11.379 ( -11.704 -13.062 -17.097) 24.493 12.103 ( -1.838 17.900 -17.279) 24.947 12.270 ( -1.253 4.171 5.512) 7.025 12.805 ( 8.079 -3.343 -27.216) 28.586 12.952 ( -4.752 13.569 6.955) 15.971 13.098 ( -26.266 -2.679 -10.790) 28.522 13.672 ( -3.714 21.875 4.301) 22.601 14.996 ( -5.808 -2.267 1.110) 6.333 15.281 ( -11.479 -3.564 -4.902) 12.981 15.678 ( 5.441 -1.510 -0.866) 5.713 15.830 ( 6.347 6.227 7.336) 11.527 16.442 ( 7.044 -6.854 -1.348) 9.920 16.711 ( 8.307 4.566 1.056) 9.538 17.112 ( 3.036 -0.010 -4.009) 5.029 17.162 ( 2.915 3.640 -1.273) 4.834 17.377 ( 1.312 -12.782 1.590) 12.948 17.545 ( 2.034 -1.426 4.196) 4.876 17.586 ( -1.112 -5.069 -1.959) 5.547 17.786 ( 8.811 -4.644 2.430) 10.252 17.948 ( -2.443 -17.504 0.038) 17.674 18.195 ( -6.831 -2.386 14.424) 16.137 18.407 ( -3.151 -7.760 -0.737) 8.407 18.513 ( -6.018 2.078 8.572) 10.677 18.664 ( 6.355 1.366 5.820) 8.725 18.941 ( -4.248 -7.205 4.973) 9.731 19.173 ( -9.063 7.447 -11.207) 16.224 19.271 ( 11.703 -5.059 5.174) 13.760 19.461 ( -14.046 5.005 9.832) 17.861 19.843 ( -17.371 3.916 12.595) 21.811 19.913 ( 2.800 -2.242 3.027) 4.694 20.290 ( 7.041 -2.529 -14.893) 16.666 20.546 ( -3.027 -8.266 -0.489) 8.816 20.982 ( -0.965 11.782 -6.406) 13.446 21.221 ( -2.503 -4.792 0.012) 5.406 21.349 ( 3.164 7.845 4.435) 9.551 21.585 ( 5.538 5.065 3.291) 8.194 21.687 ( 12.262 2.977 8.654) 15.301 21.739 ( -2.582 0.208 6.196) 6.716 22.042 ( 4.346 -4.180 11.986) 13.417 22.145 ( 6.627 0.491 -3.244) 7.395 22.267 ( -1.110 2.843 -3.465) 4.618 22.338 ( 0.108 4.604 -1.509) 4.847 22.468 ( -5.317 1.239 0.969) 5.544 22.546 ( 5.727 2.347 -4.129) 7.440 22.642 ( 0.315 -0.775 2.221) 2.374 23.159 ( -4.731 -1.374 -1.645) 5.193 23.296 ( 1.594 -2.475 -1.948) 3.530 23.474 ( 2.892 -4.767 -7.217) 9.120 23.721 ( -3.570 -1.770 1.048) 4.120 23.906 ( 1.119 -3.618 0.947) 3.904 24.096 ( 1.838 3.589 2.054) 4.525 24.196 ( -5.825 4.946 -0.490) 7.657 24.410 ( 2.819 -0.893 -9.642) 10.085 24.583 ( 10.683 -2.122 -4.472) 11.774 24.702 ( 16.955 -1.369 -10.255) 19.862 24.836 ( 13.279 2.249 1.871) 13.598 25.162 ( -1.798 0.984 7.258) 7.542 25.300 ( 7.168 -0.062 -1.990) 7.439 25.507 ( 1.912 0.193 -4.024) 4.459 25.561 ( 0.905 0.287 4.484) 4.584 25.715 ( 14.982 2.976 -0.204) 15.276 26.690 ( 0.963 -1.996 0.625) 2.302 26.902 ( 2.272 1.711 1.021) 3.022 26.924 ( 2.583 -0.317 1.793) 3.161 27.126 ( 1.911 0.025 4.256) 4.665 27.528 ( -5.669 -2.562 3.530) 7.153 28.136 ( -0.156 4.244 -12.636) 13.330 28.751 ( -3.736 -1.067 -6.619) 7.675 28.869 ( -9.115 0.129 -1.442) 9.230 29.739 ( -8.026 -2.597 1.008) 8.495 30.026 ( -7.274 1.899 -0.081) 7.518 30.049 ( -1.088 1.351 -0.919) 1.963 30.130 ( -3.963 -0.108 0.071) 3.965 30.658 ( 0.601 0.088 9.933) 9.951 30.830 ( 7.850 2.282 -1.469) 8.306 30.932 ( -0.104 -0.392 -0.204) 0.454 31.092 ( 0.844 -2.201 -3.064) 3.866 31.794 ( -4.909 -0.732 1.642) 5.228 32.206 ( 2.497 0.421 -1.067) 2.748 ======================= Grid point 72 (61/105) ======================= q-point: ( 0.47 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( -29.055 -2.479 -0.000) 29.161 4.415 ( 19.692 2.111 0.000) 19.805 4.468 ( -21.092 -11.687 -0.000) 24.113 5.181 ( -1.902 -3.344 -0.000) 3.847 5.613 ( -2.337 18.561 0.000) 18.708 5.755 ( 7.026 -1.354 0.000) 7.155 6.765 ( -36.033 40.711 0.000) 54.367 6.924 ( -47.304 19.132 -0.000) 51.027 7.804 ( 3.589 -2.857 -0.000) 4.587 8.119 ( -1.142 2.901 0.000) 3.118 8.266 ( 3.235 -1.210 0.000) 3.454 9.332 ( 9.050 -2.788 0.000) 9.470 9.759 ( -2.288 -20.137 -0.000) 20.267 9.792 ( -29.421 8.780 -0.000) 30.703 10.111 ( -25.039 21.511 0.000) 33.010 10.219 ( 33.942 -13.616 0.000) 36.571 11.083 ( 12.967 10.774 0.000) 16.859 11.899 ( -1.589 7.221 0.000) 7.393 12.205 ( -2.821 39.637 0.000) 39.737 12.219 ( -3.503 -19.871 -0.000) 20.177 12.829 ( -7.232 -20.101 -0.000) 21.363 13.455 ( 3.233 1.848 0.000) 3.725 13.624 ( -1.196 -1.160 -0.000) 1.666 13.911 ( -0.531 5.719 0.000) 5.744 14.783 ( 4.945 -5.928 -0.000) 7.720 14.793 ( 9.259 14.269 0.000) 17.010 15.945 ( -3.881 -2.887 -0.000) 4.837 16.055 ( -12.403 -4.047 -0.000) 13.047 16.549 ( -4.258 -3.663 -0.000) 5.617 16.879 ( 4.259 5.610 0.000) 7.043 17.126 ( 0.345 -11.796 -0.000) 11.801 17.168 ( 10.956 0.680 0.000) 10.977 17.360 ( 0.434 0.455 0.000) 0.629 17.662 ( -4.349 -3.032 -0.000) 5.301 17.798 ( 7.306 -0.805 0.000) 7.350 17.819 ( -13.244 -12.291 -0.000) 18.068 17.858 ( -13.500 -9.774 -0.000) 16.666 18.284 ( -4.206 -7.027 -0.000) 8.190 18.470 ( -1.213 -4.087 -0.000) 4.263 18.506 ( 14.183 -3.569 0.000) 14.625 18.838 ( -9.785 -6.668 -0.000) 11.841 19.071 ( -18.127 -14.491 -0.000) 23.207 19.081 ( 3.932 1.260 0.000) 4.129 19.358 ( -10.035 2.456 -0.000) 10.331 19.372 ( -0.809 -24.559 -0.000) 24.572 19.446 ( -9.333 32.732 0.000) 34.036 19.943 ( 16.365 -8.224 -0.000) 18.315 20.007 ( -1.836 -6.753 -0.000) 6.998 20.586 ( 0.750 -3.044 -0.000) 3.135 20.810 ( 8.296 12.328 0.000) 14.859 20.861 ( 13.244 7.340 0.000) 15.142 21.079 ( 15.289 4.716 0.000) 15.999 21.524 ( 0.274 0.627 0.000) 0.684 21.607 ( 2.568 -0.238 0.000) 2.579 21.733 ( -8.136 5.627 0.000) 9.892 21.881 ( -4.900 -7.865 -0.000) 9.266 22.249 ( 2.400 -0.469 0.000) 2.446 22.303 ( -7.022 4.925 0.000) 8.577 22.398 ( -3.605 8.765 0.000) 9.477 22.477 ( 5.332 -0.452 0.000) 5.351 22.713 ( -7.606 0.240 -0.000) 7.610 22.765 ( -13.229 1.473 -0.000) 13.310 23.297 ( 2.801 1.786 0.000) 3.321 23.417 ( -0.376 -1.085 -0.000) 1.148 23.516 ( 1.572 5.557 0.000) 5.775 23.657 ( 1.074 -5.176 -0.000) 5.287 23.942 ( 9.244 -1.352 0.000) 9.342 23.985 ( -0.126 -6.829 -0.000) 6.830 24.146 ( 20.657 5.072 0.000) 21.271 24.220 ( -0.434 10.129 0.000) 10.138 24.462 ( 21.951 -1.880 0.000) 22.031 24.725 ( 11.228 -7.020 -0.000) 13.242 24.786 ( -4.718 4.708 0.000) 6.665 24.904 ( 6.074 -5.440 -0.000) 8.154 25.185 ( 4.612 4.388 0.000) 6.366 25.269 ( 2.591 -0.353 0.000) 2.615 25.389 ( -2.121 1.751 0.000) 2.750 25.575 ( 1.359 2.896 0.000) 3.199 26.741 ( 4.802 -1.715 0.000) 5.099 26.770 ( 3.279 1.015 0.000) 3.433 26.799 ( 1.279 -1.423 -0.000) 1.913 26.867 ( 1.944 1.634 0.000) 2.539 27.804 ( -8.426 -7.472 -0.000) 11.262 28.282 ( 2.190 8.124 0.000) 8.414 29.127 ( -12.215 6.699 0.000) 13.931 29.132 ( -4.027 -5.763 -0.000) 7.031 29.797 ( -0.899 -2.533 -0.000) 2.688 29.886 ( 0.300 5.366 0.000) 5.375 30.198 ( -5.126 -1.207 -0.000) 5.266 30.303 ( -4.576 -2.643 -0.000) 5.284 30.318 ( 0.166 -1.101 -0.000) 1.114 30.675 ( 6.807 3.150 0.000) 7.501 30.971 ( -4.053 1.089 -0.000) 4.197 31.206 ( 3.471 -3.433 -0.000) 4.882 31.884 ( -5.187 -1.073 -0.000) 5.297 32.157 ( 3.715 0.696 0.000) 3.779 ======================= Grid point 73 (62/105) ======================= q-point: ( 0.47 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 0.000 2.864 3.511) 4.531 3.259 ( 0.000 -0.728 -3.566) 3.640 5.058 ( -0.000 -0.980 2.138) 2.352 5.073 ( -0.000 0.227 1.460) 1.478 5.300 ( 0.000 38.858 4.363) 39.102 5.942 ( -0.000 -11.176 -3.274) 11.646 6.047 ( 0.000 45.529 42.948) 62.590 7.106 ( -0.000 12.329 35.278) 37.370 7.587 ( -0.000 0.653 14.974) 14.988 8.093 ( 0.000 24.674 14.190) 28.463 8.239 ( 0.000 -6.071 -23.175) 23.957 8.308 ( -0.000 -2.500 7.399) 7.810 8.460 ( -0.000 -16.751 -25.761) 30.729 9.380 ( 0.000 23.691 -8.362) 25.123 10.234 ( -0.000 -16.653 -6.753) 17.970 11.068 ( -0.000 -32.097 8.813) 33.285 11.522 ( 0.000 -17.197 -61.143) 63.515 11.588 ( -0.000 -5.702 -9.119) 10.755 11.709 ( -0.000 9.746 19.105) 21.447 12.227 ( 0.000 11.321 2.951) 11.700 12.316 ( 0.000 -1.345 -9.348) 9.445 12.785 ( -0.000 -16.864 0.889) 16.887 12.988 ( 0.000 23.640 6.723) 24.578 13.161 ( 0.000 5.874 -34.508) 35.004 14.779 ( 0.000 3.711 -4.864) 6.118 15.232 ( -0.000 -8.858 -6.273) 10.854 15.720 ( 0.000 16.302 5.707) 17.272 16.077 ( -0.000 -8.804 4.355) 9.822 16.762 ( 0.000 -2.131 -4.090) 4.611 16.978 ( 0.000 5.697 1.150) 5.812 17.087 ( 0.000 -0.065 -2.405) 2.406 17.206 ( -0.000 -3.714 12.306) 12.855 17.551 ( -0.000 -13.482 5.586) 14.594 17.569 ( 0.000 -2.071 -9.484) 9.708 17.833 ( 0.000 10.845 7.294) 13.070 17.958 ( -0.000 1.145 9.978) 10.044 18.120 ( -0.000 -1.805 2.937) 3.447 18.122 ( 0.000 -0.237 -0.428) 0.490 18.321 ( -0.000 1.250 16.012) 16.061 18.433 ( -0.000 -0.381 5.953) 5.965 18.841 ( -0.000 1.152 7.977) 8.059 19.003 ( -0.000 -24.151 -11.170) 26.609 19.032 ( 0.000 6.988 -3.059) 7.628 19.083 ( -0.000 -3.062 20.368) 20.597 19.158 ( 0.000 1.460 -1.947) 2.434 19.583 ( -0.000 -10.083 -6.583) 12.042 19.889 ( 0.000 -0.653 -34.258) 34.264 20.247 ( -0.000 -3.181 1.932) 3.722 20.756 ( 0.000 17.267 -2.874) 17.505 20.786 ( 0.000 7.676 -14.736) 16.615 21.170 ( -0.000 -5.051 8.703) 10.062 21.452 ( -0.000 -8.336 5.985) 10.262 21.532 ( -0.000 -4.798 9.671) 10.796 21.791 ( 0.000 5.253 4.053) 6.635 21.801 ( 0.000 0.487 -4.026) 4.056 22.046 ( -0.000 2.105 7.330) 7.626 22.225 ( 0.000 4.895 5.820) 7.605 22.281 ( 0.000 2.799 -11.498) 11.834 22.441 ( -0.000 -2.708 1.993) 3.362 22.617 ( -0.000 -2.870 5.371) 6.090 22.712 ( -0.000 -3.507 20.275) 20.576 22.846 ( -0.000 -4.436 15.915) 16.522 22.951 ( -0.000 -7.109 2.158) 7.429 23.398 ( 0.000 4.414 -5.334) 6.924 23.538 ( -0.000 -6.819 1.750) 7.040 23.622 ( 0.000 -0.576 -11.601) 11.615 23.899 ( 0.000 5.566 5.874) 8.092 24.005 ( 0.000 -1.792 -3.465) 3.901 24.048 ( 0.000 2.758 1.427) 3.105 24.418 ( 0.000 4.811 -15.092) 15.841 24.773 ( 0.000 4.130 -6.968) 8.100 24.853 ( -0.000 -3.373 9.933) 10.490 25.029 ( 0.000 -0.210 -1.350) 1.366 25.219 ( 0.000 1.298 -1.532) 2.008 25.515 ( 0.000 -0.464 -3.413) 3.444 25.543 ( 0.000 2.052 -2.254) 3.049 25.790 ( 0.000 0.957 0.357) 1.022 26.212 ( 0.000 4.609 -11.039) 11.963 26.609 ( 0.000 2.080 -0.888) 2.262 26.831 ( -0.000 1.034 2.050) 2.296 26.933 ( 0.000 0.635 0.078) 0.640 27.164 ( -0.000 -1.282 2.969) 3.234 27.477 ( -0.000 -4.162 8.749) 9.688 28.034 ( 0.000 4.739 -11.779) 12.697 28.506 ( -0.000 3.028 5.576) 6.345 28.842 ( 0.000 -3.420 -6.794) 7.606 29.605 ( -0.000 -3.807 -1.050) 3.949 29.769 ( 0.000 4.186 -0.842) 4.270 30.007 ( 0.000 1.585 -0.267) 1.608 30.018 ( 0.000 1.640 -0.443) 1.699 30.670 ( -0.000 -0.547 9.633) 9.649 30.922 ( -0.000 -0.042 0.873) 0.874 30.964 ( 0.000 2.246 0.565) 2.315 31.188 ( 0.000 -2.626 -5.887) 6.446 31.703 ( -0.000 -2.061 1.757) 2.708 32.245 ( 0.000 0.709 -1.050) 1.267 ======================= Grid point 74 (63/105) ======================= q-point: (-0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( 26.103 -0.907 2.076) 26.201 3.919 ( -2.373 3.172 10.441) 11.168 4.936 ( 8.343 -0.159 -4.308) 9.391 5.225 ( 6.195 1.616 1.589) 6.597 5.430 ( 2.407 -10.087 -11.461) 15.457 5.837 ( -10.930 0.999 0.549) 10.990 6.608 ( 36.769 -21.393 -28.912) 51.434 7.147 ( 25.629 -18.800 -17.122) 36.103 7.830 ( -0.548 -2.374 -0.398) 2.469 8.182 ( -6.886 -0.145 4.192) 8.063 8.246 ( 5.525 -2.698 -8.317) 10.342 9.144 ( 0.581 5.975 14.906) 16.069 9.453 ( 28.065 24.658 27.989) 46.681 10.067 ( 41.140 -20.376 -25.848) 52.686 10.347 ( -23.066 -0.632 -13.461) 26.714 10.644 ( -6.072 -1.968 -13.643) 15.063 11.015 ( 3.300 -12.601 -0.738) 13.047 11.134 ( -15.098 1.002 4.337) 15.741 11.784 ( 4.069 -2.557 8.182) 9.489 12.552 ( -14.469 7.927 6.732) 17.819 12.610 ( -7.191 -7.438 8.101) 13.140 12.973 ( 4.179 17.181 12.542) 21.679 13.304 ( 21.171 7.760 3.691) 22.848 13.785 ( 14.197 -3.443 13.007) 19.560 14.998 ( 5.121 -3.731 -9.666) 11.558 15.506 ( 11.680 5.678 -14.798) 19.689 15.652 ( -5.737 -1.953 2.650) 6.614 15.924 ( 8.292 -0.971 7.901) 11.494 16.352 ( -9.369 -1.317 4.693) 10.561 16.716 ( 2.497 5.297 1.746) 6.111 16.909 ( -6.797 4.173 8.132) 11.391 17.254 ( 0.526 8.297 3.698) 9.099 17.381 ( -2.093 -6.649 4.068) 8.071 17.682 ( -9.035 0.002 8.435) 12.361 17.855 ( 7.810 -9.220 -3.599) 12.608 17.943 ( 5.214 -4.371 -7.632) 10.225 18.191 ( 13.270 4.432 6.745) 15.531 18.381 ( 0.382 -5.532 -2.778) 6.202 18.389 ( -1.352 6.510 0.455) 6.664 18.556 ( -2.473 -0.111 -5.740) 6.251 18.900 ( 5.041 -6.078 -5.930) 9.875 19.048 ( 7.040 7.121 2.683) 10.367 19.269 ( 6.761 -2.428 -16.534) 18.027 19.483 ( 3.117 2.953 2.377) 4.908 19.631 ( -8.696 3.517 -7.141) 11.790 19.687 ( -17.667 6.385 11.784) 22.175 20.116 ( 3.245 9.960 -3.762) 11.130 20.352 ( 0.184 -4.495 12.380) 13.172 20.483 ( 0.394 0.589 -10.900) 10.923 20.654 ( -11.756 -5.988 -6.161) 14.560 20.841 ( 6.426 -2.269 0.886) 6.872 21.211 ( -7.823 9.815 -4.184) 13.230 21.441 ( -15.448 -8.123 -3.830) 17.869 21.582 ( -9.157 1.557 3.565) 9.949 21.902 ( -2.433 -0.678 -0.971) 2.706 21.997 ( 8.894 -4.253 0.116) 9.859 22.049 ( -1.237 0.587 3.092) 3.381 22.219 ( -0.467 2.610 -0.819) 2.775 22.364 ( 2.428 5.153 -2.782) 6.339 22.445 ( 5.583 -3.430 -0.946) 6.621 22.497 ( -1.444 4.836 0.759) 5.104 22.689 ( 5.497 1.610 1.715) 5.979 23.167 ( 3.531 -2.068 7.604) 8.635 23.297 ( 0.262 -3.122 3.430) 4.645 23.528 ( 3.745 -1.201 -2.321) 4.566 23.787 ( 0.904 -3.624 -0.951) 3.855 23.921 ( -0.082 -2.516 1.663) 3.017 23.974 ( -12.669 0.064 0.535) 12.681 24.084 ( -5.321 -1.266 -5.220) 7.561 24.179 ( -10.103 -5.114 0.359) 11.329 24.340 ( -20.886 2.923 4.311) 21.525 24.373 ( -5.919 -0.229 5.571) 8.132 24.803 ( 2.258 3.418 3.510) 5.394 25.102 ( -0.540 -1.193 0.100) 1.313 25.254 ( -2.627 0.685 -7.874) 8.329 25.398 ( -3.679 -1.155 -1.844) 4.274 25.521 ( 1.753 0.090 -2.944) 3.428 25.567 ( 0.034 -0.100 -2.809) 2.811 26.745 ( -3.312 -2.773 -0.727) 4.380 26.793 ( -1.996 2.827 -1.364) 3.719 26.922 ( 0.056 0.628 -2.183) 2.272 27.037 ( -5.320 -0.332 -5.800) 7.877 27.814 ( 5.812 5.904 3.543) 9.010 27.919 ( -1.610 -4.411 8.270) 9.510 28.807 ( 8.461 -6.252 3.717) 11.158 29.052 ( 3.814 4.059 6.028) 8.207 29.849 ( 4.987 -3.832 -4.975) 8.020 29.994 ( 1.389 -0.990 -3.162) 3.592 30.198 ( 7.719 3.919 2.423) 8.990 30.306 ( 7.879 0.627 0.361) 7.912 30.562 ( -7.060 -0.337 -1.273) 7.182 30.650 ( -4.540 -0.763 -5.946) 7.519 30.957 ( 1.557 -0.251 -0.318) 1.609 31.139 ( -3.059 1.863 5.540) 6.597 31.915 ( 4.221 0.602 -0.110) 4.266 32.131 ( -3.171 -0.328 0.276) 3.200 ======================= Grid point 75 (64/105) ======================= q-point: (-0.14 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -24.393 0.000 -1.738) 24.455 3.670 ( -15.382 0.000 6.278) 16.614 4.911 ( 5.184 -0.000 -2.634) 5.815 5.095 ( -5.962 0.000 1.634) 6.182 5.301 ( -10.481 0.000 -22.735) 25.035 5.838 ( -7.300 0.000 -22.000) 23.180 6.616 ( -9.695 0.000 -32.549) 33.962 6.759 ( -17.389 0.000 -37.504) 41.339 7.812 ( -6.961 0.000 -8.398) 10.908 8.284 ( 2.001 0.000 -7.883) 8.133 8.315 ( 3.108 -0.000 1.989) 3.690 9.190 ( -23.512 -0.000 47.113) 52.654 9.421 ( 3.876 -0.000 -1.493) 4.153 9.613 ( -34.398 0.000 -40.689) 53.281 9.666 ( -8.772 -0.000 20.365) 22.174 10.510 ( 9.625 -0.000 3.840) 10.363 10.911 ( -14.744 0.000 -12.143) 19.101 11.325 ( 0.139 0.000 -5.197) 5.199 11.831 ( 6.158 0.000 -13.296) 14.653 12.476 ( -5.416 -0.000 11.564) 12.769 12.579 ( 8.842 -0.000 12.495) 15.307 13.155 ( -10.791 0.000 8.262) 13.591 13.347 ( 4.837 -0.000 9.148) 10.348 13.980 ( -0.120 0.000 -2.066) 2.069 14.900 ( -12.755 0.000 -3.987) 13.364 15.127 ( -16.661 0.000 -3.543) 17.034 15.635 ( 8.994 -0.000 -0.470) 9.006 16.043 ( 6.537 -0.000 2.861) 7.136 16.403 ( 7.940 -0.000 4.016) 8.898 16.793 ( 7.936 -0.000 -0.594) 7.958 17.133 ( -1.470 0.000 -1.141) 1.861 17.209 ( 6.311 -0.000 3.211) 7.081 17.246 ( -3.868 -0.000 5.143) 6.435 17.504 ( -11.275 0.000 1.067) 11.325 17.604 ( 1.244 0.000 -5.433) 5.573 17.707 ( 15.967 -0.000 5.951) 17.040 17.785 ( 5.985 -0.000 8.896) 10.722 18.174 ( -3.750 0.000 -14.901) 15.365 18.532 ( 0.121 -0.000 16.217) 16.217 18.620 ( -3.049 0.000 0.418) 3.078 18.822 ( -7.457 0.000 2.237) 7.785 18.970 ( -9.916 0.000 -5.432) 11.307 19.019 ( -9.880 0.000 2.608) 10.218 19.542 ( 11.729 -0.000 18.861) 22.211 19.693 ( -16.461 0.000 7.378) 18.038 19.757 ( -20.925 0.000 -12.960) 24.613 19.887 ( -0.530 0.000 -14.333) 14.343 20.236 ( -14.502 -0.000 15.823) 21.463 20.573 ( 21.662 -0.000 10.934) 24.265 20.689 ( -8.780 0.000 -22.744) 24.380 21.185 ( -0.738 -0.000 3.866) 3.936 21.687 ( -0.738 -0.000 2.502) 2.608 21.743 ( 16.387 -0.000 9.394) 18.889 21.804 ( 13.367 -0.000 0.177) 13.368 21.969 ( -2.923 0.000 -3.746) 4.751 22.008 ( 5.199 -0.000 -4.767) 7.053 22.081 ( 31.169 -0.000 2.617) 31.279 22.179 ( -2.861 0.000 -1.627) 3.291 22.377 ( -4.814 0.000 -4.210) 6.395 22.467 ( 1.588 -0.000 4.540) 4.810 22.634 ( 4.512 -0.000 8.972) 10.043 22.834 ( -4.307 -0.000 11.521) 12.300 23.065 ( -2.383 0.000 -7.873) 8.225 23.203 ( 3.517 0.000 -9.124) 9.779 23.277 ( -1.057 -0.000 2.649) 2.852 23.651 ( -0.749 0.000 -6.593) 6.635 23.856 ( 2.251 0.000 -3.197) 3.910 24.088 ( 0.604 0.000 -2.771) 2.836 24.263 ( -1.070 -0.000 1.938) 2.213 24.267 ( -3.347 0.000 -2.171) 3.989 24.475 ( 11.199 -0.000 -9.389) 14.614 24.569 ( 12.378 -0.000 4.288) 13.099 24.914 ( 14.097 -0.000 3.677) 14.568 25.201 ( 3.005 0.000 -5.739) 6.478 25.291 ( -1.409 -0.000 1.840) 2.318 25.443 ( -0.561 0.000 -0.341) 0.656 25.606 ( 4.153 -0.000 -0.688) 4.210 25.706 ( 9.096 -0.000 -3.304) 9.678 26.699 ( 1.633 -0.000 1.909) 2.513 26.920 ( 2.270 -0.000 -1.315) 2.623 26.935 ( -1.572 0.000 -0.507) 1.652 27.184 ( 2.146 -0.000 1.377) 2.549 27.650 ( -1.986 -0.000 9.441) 9.647 27.919 ( -2.545 0.000 -10.407) 10.714 28.592 ( -2.233 0.000 -5.840) 6.252 28.915 ( -7.215 0.000 4.503) 8.504 29.692 ( -9.181 0.000 -2.826) 9.607 29.993 ( -1.105 0.000 -3.037) 3.231 30.070 ( -9.659 0.000 1.427) 9.764 30.171 ( -4.143 0.000 2.450) 4.813 30.759 ( 0.950 0.000 -2.179) 2.377 30.797 ( 8.215 -0.000 -2.983) 8.740 30.936 ( 0.198 -0.000 1.278) 1.293 31.086 ( 0.925 -0.000 4.924) 5.010 31.827 ( -4.045 0.000 1.909) 4.472 32.188 ( 2.207 -0.000 -0.948) 2.401 ======================= Grid point 77 (65/105) ======================= q-point: (-0.14 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.467 ( 24.599 -0.000 -9.431) 26.345 3.839 ( -22.773 0.000 -4.123) 23.144 4.883 ( -2.248 -0.000 9.025) 9.300 5.161 ( 6.634 -0.000 5.899) 8.877 5.474 ( 6.005 -0.000 -2.526) 6.515 5.576 ( 7.741 -0.000 2.383) 8.099 6.884 ( 51.970 -0.000 7.526) 52.512 7.133 ( 40.438 -0.000 8.188) 41.259 7.937 ( 4.659 0.000 -7.580) 8.898 8.243 ( -3.893 0.000 -2.309) 4.526 8.374 ( 23.248 -0.000 -7.761) 24.509 9.345 ( -19.253 0.000 7.109) 20.524 9.408 ( -13.025 0.000 0.948) 13.059 9.713 ( -6.559 -0.000 16.179) 17.458 9.800 ( -36.739 0.000 9.329) 37.905 10.771 ( 70.954 -0.000 15.917) 72.718 10.952 ( 2.825 0.000 -12.839) 13.146 11.330 ( 10.593 -0.000 5.790) 12.072 11.768 ( 10.647 0.000 -13.575) 17.252 12.990 ( -19.863 0.000 -16.903) 26.081 13.043 ( -6.050 0.000 -4.815) 7.732 13.365 ( 5.616 0.000 -16.061) 17.015 13.613 ( -8.412 0.000 -9.920) 13.006 13.949 ( 6.625 -0.000 3.184) 7.350 14.547 ( -2.637 -0.000 24.115) 24.259 15.205 ( -5.948 -0.000 25.772) 26.450 16.022 ( 8.279 0.000 -14.900) 17.046 16.159 ( 20.201 -0.000 -11.957) 23.475 16.255 ( -9.803 0.000 -9.308) 13.518 16.865 ( 1.577 -0.000 11.137) 11.248 17.056 ( -4.363 0.000 -0.081) 4.364 17.185 ( -2.799 0.000 -2.076) 3.485 17.309 ( -1.625 0.000 -6.384) 6.588 17.365 ( -9.241 0.000 -9.986) 13.606 17.605 ( -10.704 0.000 -6.398) 12.470 17.950 ( 5.075 -0.000 10.612) 11.763 18.309 ( 19.022 -0.000 -5.733) 19.867 18.542 ( -36.550 0.000 1.153) 36.568 18.588 ( 1.527 -0.000 6.616) 6.790 18.800 ( -6.044 0.000 3.465) 6.966 18.809 ( -13.466 0.000 2.040) 13.620 18.911 ( 17.303 -0.000 8.648) 19.344 18.961 ( -13.414 0.000 1.902) 13.548 19.522 ( 17.856 -0.000 18.657) 25.825 19.658 ( -39.421 0.000 -15.528) 42.369 19.921 ( -14.142 0.000 1.367) 14.208 20.089 ( 6.221 -0.000 -5.534) 8.326 20.326 ( 4.891 -0.000 8.306) 9.639 20.368 ( 0.252 0.000 -11.405) 11.408 20.609 ( 4.130 0.000 -4.307) 5.967 20.767 ( 17.646 -0.000 -3.032) 17.905 20.807 ( 6.469 -0.000 6.131) 8.912 21.450 ( -3.461 0.000 -3.281) 4.769 21.760 ( -3.324 0.000 -1.988) 3.873 21.765 ( -7.819 0.000 1.742) 8.010 21.957 ( 0.477 -0.000 4.771) 4.795 22.105 ( 12.203 -0.000 1.797) 12.335 22.222 ( -2.975 -0.000 11.051) 11.444 22.241 ( -1.469 0.000 -7.984) 8.118 22.577 ( 5.430 -0.000 -0.067) 5.430 22.893 ( 11.955 -0.000 -1.774) 12.085 22.901 ( 10.547 -0.000 -1.188) 10.613 23.250 ( 1.063 0.000 -3.823) 3.968 23.333 ( -1.519 0.000 0.370) 1.564 23.408 ( 0.090 -0.000 0.657) 0.663 23.506 ( -9.079 0.000 3.801) 9.843 23.631 ( -10.323 0.000 -1.520) 10.435 23.793 ( -7.797 0.000 -0.799) 7.838 23.945 ( 1.253 -0.000 4.991) 5.146 24.014 ( 1.356 0.000 -2.894) 3.196 24.385 ( 0.533 0.000 -3.491) 3.532 24.389 ( 1.313 0.000 -7.285) 7.402 24.958 ( -5.547 0.000 -1.234) 5.682 25.109 ( 4.308 -0.000 1.293) 4.498 25.168 ( -1.599 -0.000 2.537) 2.999 25.308 ( -3.996 0.000 0.482) 4.025 25.401 ( 1.074 -0.000 6.627) 6.713 25.515 ( 2.708 -0.000 3.043) 4.073 26.635 ( -1.742 0.000 -0.630) 1.852 26.760 ( -3.214 -0.000 3.921) 5.070 26.774 ( -1.245 -0.000 1.548) 1.987 26.920 ( 0.259 -0.000 3.948) 3.957 27.870 ( -5.019 0.000 -3.542) 6.143 28.298 ( 6.164 0.000 -8.767) 10.717 28.846 ( 5.500 -0.000 -5.415) 7.718 29.340 ( 2.350 0.000 -5.847) 6.301 29.751 ( 4.347 -0.000 3.904) 5.843 29.908 ( 1.352 -0.000 4.706) 4.896 30.315 ( -0.516 -0.000 2.519) 2.571 30.422 ( -0.809 -0.000 6.777) 6.826 30.455 ( -6.628 0.000 -1.095) 6.718 30.523 ( 4.382 -0.000 -2.903) 5.257 30.987 ( 3.287 -0.000 -0.672) 3.355 31.197 ( -5.334 0.000 -2.964) 6.103 32.002 ( 2.726 -0.000 -0.829) 2.849 32.064 ( -2.743 0.000 0.671) 2.824 ======================= Grid point 78 (66/105) ======================= q-point: ( 0.26 -0.26 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -30.229 -2.607 -0.000) 30.341 3.433 ( -47.200 56.461 0.000) 73.591 3.499 ( -39.741 23.067 0.000) 45.951 4.199 ( -37.007 33.896 0.000) 50.185 4.953 ( 8.624 0.015 0.000) 8.624 5.211 ( -0.449 -3.951 -0.000) 3.976 5.487 ( -45.806 99.020 0.000) 109.101 6.101 ( 0.659 7.490 0.000) 7.519 6.194 ( -4.346 -0.089 -0.000) 4.347 7.863 ( 0.610 2.747 0.000) 2.814 7.952 ( -1.729 4.454 0.000) 4.778 8.330 ( -0.945 0.127 -0.000) 0.954 10.020 ( 8.387 7.132 0.000) 11.009 10.211 ( -3.155 -4.727 -0.000) 5.683 10.283 ( 5.963 -14.350 -0.000) 15.540 10.824 ( -3.397 24.576 0.000) 24.809 11.529 ( 8.349 -24.066 -0.000) 25.473 11.870 ( 5.803 -20.424 -0.000) 21.233 11.876 ( 20.498 27.824 0.000) 34.559 12.502 ( -17.200 -15.025 -0.000) 22.838 12.751 ( -2.067 -26.573 -0.000) 26.653 12.756 ( -10.053 -12.678 -0.000) 16.180 14.159 ( 10.994 -1.794 0.000) 11.139 14.293 ( 11.956 -6.114 -0.000) 13.428 14.916 ( 8.339 13.469 0.000) 15.842 15.212 ( 10.611 -0.004 0.000) 10.611 15.617 ( -11.179 -6.849 -0.000) 13.110 15.942 ( 3.169 -6.355 -0.000) 7.102 16.462 ( -2.774 1.885 0.000) 3.354 16.923 ( 4.721 5.591 0.000) 7.317 17.103 ( -3.868 5.235 0.000) 6.509 17.268 ( -0.992 -5.709 -0.000) 5.795 17.383 ( -14.346 1.630 -0.000) 14.438 17.570 ( 2.462 -7.530 -0.000) 7.922 17.685 ( -2.369 -9.549 -0.000) 9.839 17.752 ( -4.127 12.201 0.000) 12.880 17.975 ( -7.607 4.358 0.000) 8.767 18.105 ( 12.173 -6.434 -0.000) 13.769 18.109 ( -15.125 1.399 -0.000) 15.190 18.372 ( -14.831 1.875 -0.000) 14.949 18.463 ( -2.913 20.349 0.000) 20.556 18.586 ( 4.375 -1.118 0.000) 4.515 18.992 ( -9.095 0.759 -0.000) 9.126 19.175 ( 1.620 0.782 0.000) 1.799 19.864 ( 1.146 -26.352 -0.000) 26.377 19.896 ( 0.314 3.172 0.000) 3.187 20.261 ( -10.321 -8.642 -0.000) 13.461 20.606 ( 23.290 -3.005 0.000) 23.483 20.856 ( -4.779 1.357 -0.000) 4.968 20.879 ( 14.129 3.408 0.000) 14.535 21.122 ( 6.457 -0.201 0.000) 6.460 21.331 ( 9.199 4.923 0.000) 10.433 21.416 ( 2.093 3.294 0.000) 3.902 21.626 ( 5.831 -7.928 -0.000) 9.841 21.795 ( 6.564 6.158 0.000) 9.000 21.859 ( -5.343 -6.952 -0.000) 8.768 21.983 ( -9.074 -13.887 -0.000) 16.589 22.215 ( -5.640 3.470 0.000) 6.622 22.359 ( 1.302 -8.796 -0.000) 8.892 22.507 ( -2.792 -4.291 -0.000) 5.119 22.522 ( 1.047 -2.919 -0.000) 3.101 22.602 ( 0.313 0.384 0.000) 0.496 23.149 ( -6.223 -4.614 -0.000) 7.747 23.286 ( -2.452 13.923 0.000) 14.137 23.650 ( 10.803 -6.969 -0.000) 12.856 23.683 ( -6.090 7.578 0.000) 9.722 23.942 ( 0.519 -3.647 -0.000) 3.684 24.039 ( -0.688 2.565 0.000) 2.656 24.095 ( 3.539 -3.310 -0.000) 4.845 24.506 ( 1.121 4.391 0.000) 4.532 24.567 ( 1.940 13.190 0.000) 13.332 25.091 ( -4.469 2.074 0.000) 4.927 25.119 ( 2.681 -4.255 -0.000) 5.029 25.215 ( 4.636 0.142 0.000) 4.638 25.279 ( -2.356 -1.332 -0.000) 2.707 25.475 ( -1.363 6.335 0.000) 6.480 25.662 ( 22.253 2.442 0.000) 22.387 25.976 ( 31.470 4.889 0.000) 31.848 26.709 ( -3.421 0.126 -0.000) 3.424 26.775 ( -6.491 2.654 -0.000) 7.013 26.908 ( 2.668 3.751 0.000) 4.603 26.995 ( 3.137 -2.180 -0.000) 3.820 27.567 ( -10.702 -6.363 -0.000) 12.450 28.200 ( 0.640 5.446 0.000) 5.483 28.427 ( -11.953 5.138 0.000) 13.010 29.098 ( -1.393 -3.315 -0.000) 3.595 29.629 ( -3.217 9.300 0.000) 9.840 29.793 ( -2.688 -4.999 -0.000) 5.676 29.976 ( -4.972 0.834 -0.000) 5.042 30.143 ( -7.119 -1.657 -0.000) 7.309 30.389 ( 0.761 -2.578 -0.000) 2.688 30.850 ( 3.973 3.176 0.000) 5.087 30.904 ( -0.018 -0.560 -0.000) 0.561 31.373 ( 1.527 -2.847 -0.000) 3.230 31.758 ( -2.713 -3.103 -0.000) 4.122 32.239 ( 1.382 1.195 0.000) 1.827 ======================= Grid point 80 (67/105) ======================= q-point: ( 0.26 -0.59 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.331 ( -22.442 1.205 4.110) 22.848 3.723 ( 16.272 -0.964 6.430) 17.523 5.160 ( -11.626 0.352 -4.030) 12.309 5.329 ( 2.594 -1.886 -4.025) 5.147 5.393 ( -3.562 4.535 -1.174) 5.885 5.605 ( 11.341 -1.160 0.050) 11.400 7.308 ( -34.081 9.450 -9.898) 36.726 7.599 ( -16.875 6.914 -6.210) 19.265 7.793 ( 3.378 -0.141 1.566) 3.726 7.964 ( 14.741 -4.476 1.907) 15.523 8.517 ( -21.377 10.001 -5.513) 24.235 9.035 ( 10.175 -5.641 4.470) 12.463 9.690 ( -2.174 -12.056 -0.540) 12.263 9.816 ( 22.459 3.638 -14.045) 26.738 10.563 ( 1.154 10.919 -3.410) 11.497 10.644 ( 5.140 -2.995 1.412) 6.114 11.085 ( -18.504 4.579 16.649) 25.309 11.397 ( -35.361 12.908 -16.573) 41.130 11.754 ( 8.744 -16.313 16.254) 24.633 12.123 ( 21.122 -9.280 1.770) 23.138 12.606 ( 1.516 17.102 5.992) 18.185 13.017 ( -2.572 -23.006 11.389) 25.799 13.732 ( -19.795 0.828 -0.499) 19.819 13.873 ( 4.081 9.621 1.092) 10.508 15.111 ( -6.908 4.509 -15.427) 17.494 15.412 ( 9.742 -8.235 -13.662) 18.692 15.858 ( -15.470 -3.720 1.687) 16.000 16.006 ( 6.308 3.424 10.257) 12.519 16.300 ( -9.570 10.064 0.251) 13.890 16.697 ( 10.131 -5.018 0.426) 11.314 16.868 ( -4.348 -2.591 0.494) 5.085 17.093 ( 9.933 -7.076 -2.524) 12.454 17.438 ( 4.504 0.853 6.019) 7.566 17.529 ( 3.127 -7.378 15.248) 17.225 17.970 ( -2.385 19.534 -0.476) 19.684 18.073 ( -13.286 8.768 -1.370) 15.978 18.235 ( 2.863 1.912 -3.010) 4.573 18.376 ( -1.961 -4.613 1.964) 5.383 18.437 ( 2.243 -2.430 7.115) 7.846 18.561 ( 3.960 -10.198 -0.447) 10.949 18.954 ( 0.492 16.094 -2.021) 16.228 19.214 ( -10.626 -9.908 1.354) 14.591 19.270 ( -2.674 -1.162 -11.044) 11.422 19.366 ( 12.606 0.808 -9.079) 15.556 19.414 ( 9.397 1.678 14.042) 16.979 19.588 ( 0.086 -15.391 1.876) 15.505 20.195 ( -4.880 -1.488 -6.304) 8.110 20.272 ( 1.211 7.040 6.937) 9.957 20.417 ( -1.868 -5.273 -9.987) 11.447 20.606 ( 11.066 -4.219 -17.391) 21.040 20.997 ( 2.262 7.850 -10.480) 13.288 21.030 ( -6.843 0.516 -1.317) 6.987 21.271 ( 2.182 2.559 4.548) 5.657 21.435 ( 6.425 -2.770 9.446) 11.754 21.899 ( -0.502 5.073 2.734) 5.784 22.018 ( 1.475 -1.328 4.456) 4.878 22.154 ( -6.114 3.178 1.553) 7.064 22.237 ( -2.407 -4.874 -2.472) 5.972 22.307 ( 6.993 3.693 -3.138) 8.508 22.416 ( 0.913 -10.599 2.221) 10.868 22.666 ( -12.869 1.683 4.608) 13.773 22.858 ( -3.736 -2.266 2.538) 5.053 23.218 ( -3.032 1.862 2.848) 4.557 23.341 ( 0.534 0.525 4.855) 4.913 23.455 ( 3.432 1.149 -6.959) 7.844 23.719 ( 12.725 -0.468 -5.999) 14.076 23.841 ( 2.754 2.961 -3.594) 5.410 23.865 ( -0.749 4.560 0.818) 4.693 23.960 ( -1.225 1.735 6.700) 7.028 24.047 ( 4.427 2.083 -2.992) 5.735 24.193 ( -0.464 -4.298 7.663) 8.798 24.235 ( 7.290 -0.415 5.130) 8.924 24.901 ( -6.321 -1.776 1.249) 6.683 25.026 ( 6.520 -1.430 -1.620) 6.869 25.255 ( -2.798 1.201 -5.566) 6.345 25.338 ( 3.159 -0.506 -2.914) 4.328 25.559 ( -1.495 0.412 -3.117) 3.481 25.572 ( -0.195 0.139 -2.371) 2.383 26.695 ( 1.595 2.966 -1.045) 3.526 26.752 ( 1.535 -2.682 -1.906) 3.631 26.923 ( 0.803 1.309 -3.116) 3.474 26.957 ( 1.695 -1.354 -4.141) 4.675 27.875 ( 2.867 4.477 6.239) 8.196 27.912 ( -4.312 -6.126 6.010) 9.604 28.936 ( -4.539 7.198 5.453) 10.107 29.099 ( -0.751 -5.369 6.032) 8.110 29.933 ( -3.677 2.904 -5.559) 7.270 30.005 ( 0.268 -0.402 -4.171) 4.199 30.324 ( -5.887 -3.185 3.064) 7.361 30.415 ( 7.327 0.165 1.309) 7.445 30.452 ( -6.278 1.267 -2.762) 6.974 30.569 ( 4.189 -0.225 -6.179) 7.468 30.994 ( -2.188 1.056 1.358) 2.783 31.076 ( 3.318 -1.715 3.915) 5.411 31.993 ( -3.868 -0.019 0.142) 3.870 32.066 ( 3.553 -0.072 -0.011) 3.553 ======================= Grid point 81 (68/105) ======================= q-point: (-0.35 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 0.000 -0.128 -4.084) 4.086 3.211 ( -0.000 -0.549 0.509) 0.749 4.939 ( 0.000 -6.316 -38.435) 38.951 5.087 ( 0.000 -0.052 -0.593) 0.595 5.099 ( 0.000 1.391 -10.058) 10.154 6.015 ( -0.000 0.496 0.934) 1.058 6.077 ( 0.000 -11.892 -71.498) 72.481 6.800 ( -0.000 -24.838 -31.616) 40.206 7.525 ( 0.000 -7.295 -16.359) 17.912 8.048 ( -0.000 6.052 21.480) 22.316 8.263 ( 0.000 -2.402 -28.642) 28.743 8.613 ( 0.000 15.686 25.328) 29.792 8.906 ( -0.000 16.780 30.777) 35.054 9.214 ( 0.000 7.633 -41.552) 42.247 10.052 ( -0.000 -22.070 26.927) 34.816 10.582 ( -0.000 -28.644 5.190) 29.110 10.926 ( 0.000 8.125 6.685) 10.521 11.437 ( -0.000 2.820 14.007) 14.288 12.068 ( 0.000 -0.122 -8.536) 8.537 12.235 ( 0.000 -1.435 -13.414) 13.490 12.361 ( -0.000 4.526 28.956) 29.308 12.976 ( 0.000 16.494 16.670) 23.451 13.005 ( 0.000 18.360 -7.187) 19.716 13.717 ( 0.000 24.756 5.128) 25.282 14.753 ( -0.000 -3.369 -4.111) 5.315 14.932 ( -0.000 -4.186 -0.734) 4.250 15.878 ( 0.000 -2.178 -3.869) 4.440 16.142 ( 0.000 5.772 3.445) 6.722 16.671 ( -0.000 -2.632 -1.670) 3.117 17.024 ( 0.000 3.638 -6.125) 7.124 17.112 ( 0.000 3.629 2.503) 4.409 17.229 ( -0.000 -13.335 3.314) 13.740 17.414 ( -0.000 -0.188 0.768) 0.791 17.433 ( 0.000 0.080 -2.424) 2.425 17.790 ( -0.000 -16.318 -0.214) 16.319 17.990 ( 0.000 2.910 2.102) 3.590 18.226 ( 0.000 2.683 -6.080) 6.646 18.263 ( -0.000 -24.021 5.058) 24.548 18.335 ( 0.000 4.248 -12.048) 12.775 18.487 ( -0.000 2.280 7.580) 7.915 18.639 ( 0.000 -0.323 -0.945) 0.999 18.861 ( -0.000 -12.425 7.798) 14.670 18.977 ( 0.000 -0.074 -8.980) 8.980 19.220 ( 0.000 -1.052 -24.481) 24.503 19.318 ( -0.000 0.486 20.106) 20.112 19.435 ( 0.000 6.660 7.018) 9.675 19.511 ( 0.000 5.506 7.248) 9.102 20.077 ( -0.000 -12.186 11.002) 16.417 20.530 ( 0.000 2.230 -18.176) 18.312 21.184 ( -0.000 -6.352 9.535) 11.457 21.343 ( 0.000 9.649 4.875) 10.811 21.537 ( 0.000 16.805 5.187) 17.587 21.597 ( 0.000 0.289 -14.774) 14.777 21.865 ( -0.000 -0.595 19.909) 19.918 21.992 ( 0.000 3.916 3.855) 5.495 22.082 ( 0.000 0.104 -1.507) 1.510 22.192 ( 0.000 6.515 -6.549) 9.238 22.325 ( 0.000 -1.727 -8.873) 9.039 22.442 ( -0.000 1.263 3.694) 3.903 22.697 ( -0.000 1.923 4.673) 5.053 22.918 ( -0.000 -2.961 4.637) 5.502 23.001 ( -0.000 0.042 9.207) 9.207 23.161 ( -0.000 0.069 17.099) 17.099 23.245 ( 0.000 -3.300 -9.511) 10.067 23.381 ( 0.000 -3.240 -8.018) 8.647 23.565 ( -0.000 -2.013 9.979) 10.180 23.894 ( -0.000 -1.924 -1.119) 2.225 24.072 ( 0.000 2.775 -4.916) 5.645 24.108 ( 0.000 1.013 -0.835) 1.312 24.120 ( 0.000 0.567 -10.308) 10.324 24.544 ( 0.000 -4.352 -11.070) 11.895 25.019 ( -0.000 -0.793 4.908) 4.972 25.086 ( 0.000 2.562 1.833) 3.150 25.289 ( 0.000 0.556 -6.745) 6.768 25.319 ( -0.000 -0.016 6.724) 6.724 25.452 ( -0.000 -2.815 -4.347) 5.179 25.890 ( -0.000 0.498 3.037) 3.078 26.011 ( 0.000 0.090 -11.281) 11.282 26.640 ( 0.000 2.537 -0.792) 2.658 26.831 ( 0.000 -0.917 -1.877) 2.089 26.943 ( 0.000 0.688 -0.616) 0.924 27.189 ( -0.000 -0.644 1.582) 1.708 27.641 ( -0.000 -2.055 12.227) 12.399 27.843 ( 0.000 2.442 -13.075) 13.301 28.568 ( 0.000 -0.178 -6.873) 6.876 28.764 ( -0.000 -0.028 7.290) 7.290 29.496 ( -0.000 -3.910 -1.440) 4.166 29.825 ( 0.000 2.216 0.650) 2.309 29.987 ( 0.000 -0.435 -2.397) 2.436 30.035 ( 0.000 1.629 -1.900) 2.503 30.773 ( -0.000 -0.447 -0.717) 0.845 30.939 ( 0.000 0.353 0.300) 0.463 30.982 ( 0.000 0.025 -3.679) 3.679 31.108 ( -0.000 -0.035 5.163) 5.163 31.730 ( -0.000 -0.171 2.689) 2.694 32.232 ( 0.000 0.130 -0.947) 0.955 ======================= Grid point 83 (69/105) ======================= q-point: ( 0.65 -0.48 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( -27.639 -0.873 0.078) 27.653 4.039 ( -4.310 -3.282 -13.564) 14.606 4.664 ( 2.552 -1.698 11.516) 11.917 5.129 ( -4.198 -1.961 0.365) 4.648 5.652 ( 2.016 -0.391 -3.977) 4.476 5.907 ( 7.992 7.001 0.081) 10.625 7.272 ( -31.052 18.069 2.594) 36.021 7.674 ( -8.569 15.045 0.191) 17.315 7.873 ( -3.516 12.135 13.533) 18.514 8.227 ( -7.245 2.449 6.997) 10.366 8.269 ( 4.992 4.019 -0.001) 6.408 9.041 ( -5.493 -19.713 -5.202) 21.115 9.258 ( 2.354 -12.187 -10.802) 16.454 9.789 ( 4.603 -7.158 5.749) 10.270 9.943 ( 14.439 -13.512 2.892) 19.986 10.832 ( -36.123 22.146 13.238) 44.391 11.061 ( 15.473 -0.752 -21.003) 26.098 11.727 ( 4.701 -10.816 -1.642) 11.907 12.234 ( -3.205 24.130 -10.073) 26.344 12.524 ( -11.300 9.670 -10.482) 18.195 12.876 ( -0.488 9.161 1.175) 9.249 13.274 ( 10.965 4.048 -19.720) 22.924 13.634 ( -11.796 9.498 9.568) 17.914 13.856 ( -8.405 -15.808 -8.515) 19.825 14.738 ( 6.127 -10.363 15.789) 19.855 15.201 ( 8.210 10.619 11.209) 17.488 15.828 ( -4.127 0.708 -7.915) 8.954 16.019 ( -20.553 4.197 -8.812) 22.752 16.398 ( 3.334 1.379 -7.189) 8.043 16.736 ( -0.077 -2.317 -7.576) 7.923 17.036 ( 3.793 1.254 3.845) 5.545 17.134 ( 3.690 -6.433 0.094) 7.416 17.329 ( 4.757 -4.575 -2.891) 7.205 17.505 ( -1.713 -12.617 0.040) 12.733 17.695 ( -7.373 -5.863 2.346) 9.708 17.768 ( 5.801 -1.077 1.806) 6.170 17.943 ( -6.171 -9.825 12.831) 17.298 18.161 ( -10.563 -0.701 -1.417) 10.681 18.309 ( -7.452 -2.744 -4.706) 9.231 18.416 ( 1.611 -5.610 1.019) 5.925 18.500 ( -7.396 -12.201 2.390) 14.466 18.907 ( 5.829 -3.889 5.609) 8.975 18.987 ( -2.691 -7.298 2.870) 8.291 19.323 ( 2.847 7.580 6.301) 10.260 19.570 ( 0.013 -4.366 7.180) 8.403 19.725 ( -15.008 5.810 -4.369) 16.676 19.919 ( -12.295 0.156 7.968) 14.652 20.313 ( 14.981 10.714 16.488) 24.720 20.592 ( -2.212 -1.651 4.011) 4.869 20.791 ( 8.372 1.105 -12.998) 15.500 21.162 ( 1.148 13.370 5.951) 14.680 21.243 ( 16.890 6.766 4.242) 18.683 21.451 ( -2.024 -4.118 -1.803) 4.930 21.541 ( 3.473 -1.323 -3.328) 4.988 21.743 ( -0.016 -1.514 0.591) 1.626 21.892 ( -4.135 -2.174 3.716) 5.969 22.189 ( 1.485 -0.252 -3.584) 3.888 22.341 ( -2.534 3.249 -3.487) 5.398 22.413 ( 2.117 0.816 -5.001) 5.492 22.570 ( -6.279 3.458 1.602) 7.345 22.662 ( -5.884 3.772 -7.720) 10.414 22.733 ( -7.982 0.886 -4.672) 9.292 23.302 ( -3.063 -0.958 -0.745) 3.295 23.309 ( 0.590 -1.596 -4.296) 4.620 23.546 ( 1.033 -4.289 -3.448) 5.599 23.691 ( 0.555 -2.452 5.387) 5.945 23.853 ( 3.481 -0.910 2.229) 4.233 23.926 ( 8.561 -0.947 3.288) 9.220 24.251 ( 15.936 2.951 -0.083) 16.207 24.316 ( 29.422 -0.396 -4.372) 29.747 24.428 ( 0.098 5.263 -3.011) 6.064 24.570 ( 6.977 1.279 -6.283) 9.476 24.679 ( 1.999 -5.688 -5.497) 8.159 25.005 ( -4.085 0.062 11.310) 12.025 25.240 ( 1.660 0.368 -0.495) 1.771 25.367 ( 5.486 3.933 6.188) 9.157 25.474 ( 2.864 -0.688 4.212) 5.140 25.588 ( 2.694 1.846 -3.525) 4.805 26.674 ( 2.070 -2.108 -1.730) 3.423 26.794 ( 3.402 0.725 1.749) 3.894 26.812 ( 3.310 -0.901 2.377) 4.174 26.966 ( 2.881 1.035 5.528) 6.320 27.664 ( -7.599 -3.668 -2.000) 8.672 28.345 ( 1.267 6.333 -8.241) 10.470 28.949 ( -2.454 -5.162 -5.976) 8.270 29.163 ( -10.745 3.383 -5.649) 12.602 29.789 ( -3.151 -1.674 3.703) 5.142 30.002 ( 2.787 2.283 2.641) 4.467 30.167 ( -5.945 0.225 -0.391) 5.962 30.246 ( -5.282 -1.732 -1.317) 5.713 30.426 ( 0.275 -0.362 9.825) 9.835 30.719 ( 7.333 2.790 -1.752) 8.039 30.980 ( -3.645 0.457 -1.160) 3.853 31.123 ( 1.890 -2.319 -1.789) 3.485 31.873 ( -5.377 -0.604 0.463) 5.430 32.164 ( 3.643 0.418 -0.439) 3.693 ======================= Grid point 89 (70/105) ======================= q-point: ( 0.44 -0.27 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -22.251 1.955 2.120) 22.437 3.519 ( -17.511 -2.826 -5.146) 18.469 4.795 ( -15.776 32.098 26.506) 44.516 4.977 ( 6.145 0.495 2.266) 6.568 5.179 ( -4.485 10.089 4.779) 12.031 5.466 ( -20.407 44.173 18.830) 52.175 6.152 ( -5.475 5.613 3.673) 8.659 6.444 ( -11.201 6.192 25.623) 28.641 7.600 ( -28.724 65.258 11.354) 72.198 7.885 ( 0.710 6.925 1.761) 7.181 8.148 ( 1.198 6.145 6.126) 8.759 8.334 ( -0.600 0.451 0.388) 0.846 9.331 ( 1.478 -21.766 -36.487) 42.512 9.795 ( 5.894 -0.032 -24.296) 25.001 10.314 ( 1.299 -13.024 3.913) 13.661 11.007 ( -6.258 -21.779 0.000) 22.660 11.372 ( -3.776 -3.312 9.204) 10.485 11.521 ( 11.531 -1.761 8.793) 14.607 12.056 ( 3.411 -0.615 -12.865) 13.323 12.420 ( -10.948 -4.076 0.168) 11.683 12.522 ( -2.290 3.341 -1.664) 4.379 12.633 ( -10.206 9.489 9.288) 16.748 13.621 ( -0.765 -11.882 -44.062) 45.643 13.809 ( 8.047 2.151 -30.298) 31.422 14.943 ( -0.067 3.569 -6.707) 7.598 15.346 ( 2.683 1.290 0.535) 3.025 15.549 ( -1.503 5.704 4.759) 7.579 15.872 ( 3.961 -7.733 5.741) 10.414 16.705 ( 8.777 0.585 13.543) 16.149 16.864 ( 2.890 -6.628 -8.874) 11.447 17.050 ( -3.295 3.095 -2.167) 5.013 17.256 ( -10.659 -2.507 4.495) 11.836 17.344 ( 5.050 -9.092 3.092) 10.851 17.583 ( -0.312 5.422 10.416) 11.747 17.654 ( -5.360 -6.092 8.466) 11.727 17.857 ( 6.769 -1.791 -5.660) 9.004 17.923 ( 2.603 0.300 3.728) 4.556 18.114 ( -7.150 3.396 -1.041) 7.983 18.262 ( 0.664 2.766 2.520) 3.800 18.475 ( -4.673 -1.431 0.473) 4.910 18.618 ( -6.757 -5.912 18.244) 20.333 18.822 ( -3.154 5.143 3.618) 7.034 19.068 ( 2.975 6.445 1.414) 7.238 19.168 ( -4.346 -30.748 -2.886) 31.187 19.259 ( -10.086 1.421 4.341) 11.072 19.971 ( -5.791 -4.480 -10.542) 12.835 20.038 ( 9.400 -0.494 -10.530) 14.124 20.398 ( 10.985 11.348 -7.072) 17.305 20.805 ( 15.173 -2.906 -1.095) 15.488 20.973 ( -1.278 1.048 3.147) 3.555 21.076 ( -0.539 5.934 -5.397) 8.039 21.378 ( -1.568 -4.556 -4.293) 6.454 21.526 ( -5.597 -11.337 -2.620) 12.912 21.665 ( 8.365 -2.626 8.594) 12.277 21.723 ( -0.118 -0.222 0.779) 0.819 21.785 ( 0.814 4.607 15.974) 16.645 22.021 ( 0.114 3.483 7.903) 8.637 22.270 ( 0.896 0.780 -1.076) 1.603 22.407 ( 3.736 0.196 5.588) 6.725 22.437 ( -0.558 -0.802 3.870) 3.992 22.528 ( -1.914 -2.715 -2.351) 4.069 22.588 ( -1.606 -2.171 5.851) 6.444 23.048 ( -10.474 -6.165 2.064) 12.327 23.465 ( 3.440 0.712 -4.503) 5.711 23.541 ( -0.300 3.808 -0.709) 3.885 23.823 ( -0.113 -4.041 -4.974) 6.410 23.857 ( -3.795 5.236 2.654) 6.990 24.007 ( -0.217 -3.317 1.280) 3.562 24.073 ( -0.518 2.473 -1.233) 2.812 24.548 ( -0.204 1.644 0.218) 1.671 24.806 ( 4.308 6.179 -3.179) 8.176 24.900 ( -0.169 2.040 -6.521) 6.835 25.076 ( 1.467 -2.698 -3.922) 4.981 25.190 ( 7.368 -0.269 -3.217) 8.044 25.402 ( -0.565 1.052 9.740) 9.813 25.574 ( 2.333 5.608 -3.400) 6.961 25.682 ( 19.381 1.039 -3.038) 19.645 26.053 ( 27.235 5.617 -2.503) 27.920 26.698 ( -2.929 0.390 -1.130) 3.163 26.855 ( -4.596 2.780 1.342) 5.536 26.917 ( 2.330 0.427 -0.061) 2.370 27.062 ( 2.110 -0.706 5.733) 6.150 27.444 ( -7.887 -5.703 0.849) 9.770 28.242 ( -0.072 6.011 -7.267) 9.431 28.529 ( -11.670 4.385 0.749) 12.489 28.974 ( -1.067 -4.173 -4.589) 6.294 29.676 ( -4.275 -3.753 -0.654) 5.726 29.827 ( -3.869 6.674 0.426) 7.726 30.013 ( -1.117 2.686 -0.678) 2.987 30.084 ( -4.052 -0.283 -2.022) 4.537 30.458 ( -0.022 -2.015 9.798) 10.004 30.900 ( 1.107 0.622 0.243) 1.292 30.922 ( 3.117 2.791 0.324) 4.196 31.269 ( 1.807 -3.847 -3.368) 5.423 31.708 ( -3.706 -2.711 1.088) 4.719 32.252 ( 1.455 0.968 -0.797) 1.920 ======================= Grid point 90 (71/105) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( 26.711 -0.000 0.000) 26.711 4.316 ( -19.222 0.000 -0.000) 19.222 4.526 ( 54.523 -0.000 0.000) 54.523 4.651 ( 26.191 -0.000 0.000) 26.191 5.305 ( 13.859 -0.000 0.000) 13.859 5.388 ( 4.898 -0.000 0.000) 4.898 5.986 ( 22.772 -0.000 0.000) 22.772 6.217 ( 37.123 -0.000 0.000) 37.123 7.847 ( 40.067 -0.000 0.000) 40.067 8.122 ( 12.370 -0.000 0.000) 12.370 8.180 ( 77.763 -0.000 0.000) 77.763 8.332 ( -2.467 0.000 -0.000) 2.467 9.662 ( -14.829 0.000 -0.000) 14.829 9.737 ( -21.096 0.000 -0.000) 21.096 10.031 ( 5.417 -0.000 0.000) 5.417 10.282 ( -20.133 0.000 -0.000) 20.133 11.134 ( 6.244 -0.000 0.000) 6.244 11.178 ( -11.943 0.000 -0.000) 11.943 11.994 ( -2.205 0.000 -0.000) 2.205 13.047 ( 1.669 -0.000 0.000) 1.669 13.403 ( -13.672 0.000 -0.000) 13.672 13.723 ( 8.767 -0.000 0.000) 8.767 13.801 ( -13.532 0.000 -0.000) 13.532 13.902 ( -1.115 0.000 -0.000) 1.115 14.304 ( -7.126 0.000 -0.000) 7.126 14.958 ( -5.129 0.000 -0.000) 5.129 15.973 ( 12.848 -0.000 0.000) 12.848 16.080 ( 9.880 -0.000 0.000) 9.880 16.542 ( -9.380 0.000 -0.000) 9.380 16.591 ( 6.214 -0.000 0.000) 6.214 17.039 ( 3.049 -0.000 0.000) 3.049 17.335 ( -3.391 0.000 -0.000) 3.391 17.430 ( 11.653 -0.000 0.000) 11.653 17.525 ( -7.951 0.000 -0.000) 7.951 17.809 ( -4.566 0.000 -0.000) 4.566 17.847 ( -7.933 0.000 -0.000) 7.933 18.003 ( 18.091 -0.000 0.000) 18.091 18.444 ( 1.100 -0.000 0.000) 1.100 18.566 ( 6.671 -0.000 0.000) 6.671 18.659 ( 17.837 -0.000 0.000) 17.837 18.870 ( -5.159 0.000 -0.000) 5.159 19.027 ( 15.085 -0.000 0.000) 15.085 19.214 ( 20.370 -0.000 0.000) 20.370 19.337 ( -40.007 0.000 -0.000) 40.007 19.823 ( -11.391 0.000 -0.000) 11.391 20.151 ( -17.360 0.000 -0.000) 17.360 20.277 ( -11.477 0.000 -0.000) 11.477 20.283 ( 34.350 -0.000 0.000) 34.350 20.472 ( 1.023 -0.000 0.000) 1.023 20.683 ( -3.699 0.000 -0.000) 3.699 20.735 ( -7.219 0.000 -0.000) 7.219 20.783 ( -23.278 0.000 -0.000) 23.278 21.422 ( 11.686 -0.000 0.000) 11.686 21.484 ( 1.474 -0.000 0.000) 1.474 21.917 ( -4.697 0.000 -0.000) 4.697 22.022 ( -5.228 0.000 -0.000) 5.228 22.098 ( -8.795 0.000 -0.000) 8.795 22.099 ( -2.783 0.000 -0.000) 2.783 22.415 ( -3.106 0.000 -0.000) 3.106 22.446 ( 4.447 -0.000 0.000) 4.447 22.695 ( 9.448 -0.000 0.000) 9.448 22.721 ( 3.524 -0.000 0.000) 3.524 23.248 ( 1.817 -0.000 0.000) 1.817 23.281 ( 4.043 -0.000 0.000) 4.043 23.380 ( 1.299 -0.000 0.000) 1.299 23.686 ( -4.002 0.000 -0.000) 4.002 23.858 ( -1.964 0.000 -0.000) 1.964 23.962 ( -13.192 0.000 -0.000) 13.192 24.001 ( -4.604 0.000 -0.000) 4.604 24.052 ( 0.411 -0.000 0.000) 0.411 24.378 ( 0.226 -0.000 0.000) 0.226 24.560 ( -21.093 0.000 -0.000) 21.093 25.053 ( -0.740 0.000 -0.000) 0.740 25.078 ( -3.352 0.000 -0.000) 3.352 25.226 ( -5.461 0.000 -0.000) 5.461 25.326 ( -0.056 0.000 -0.000) 0.056 25.332 ( 8.326 -0.000 0.000) 8.326 25.407 ( -4.343 0.000 -0.000) 4.343 26.687 ( -3.150 0.000 -0.000) 3.150 26.787 ( -1.667 0.000 -0.000) 1.667 26.806 ( -6.142 0.000 -0.000) 6.142 26.865 ( 1.619 -0.000 0.000) 1.619 27.999 ( -3.827 0.000 -0.000) 3.827 28.231 ( 10.788 -0.000 0.000) 10.788 28.741 ( 11.031 -0.000 0.000) 11.031 29.323 ( 5.385 -0.000 0.000) 5.385 29.624 ( 5.538 -0.000 0.000) 5.538 29.837 ( 0.104 -0.000 0.000) 0.104 30.303 ( 4.000 -0.000 0.000) 4.000 30.352 ( -3.261 0.000 -0.000) 3.261 30.499 ( 1.818 -0.000 0.000) 1.818 30.583 ( -6.102 0.000 -0.000) 6.102 30.927 ( 2.471 -0.000 0.000) 2.471 31.328 ( -4.345 0.000 -0.000) 4.345 31.936 ( 3.740 -0.000 0.000) 3.740 32.128 ( -3.282 0.000 -0.000) 3.282 ======================= Grid point 91 (72/105) ======================= q-point: (-0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( -25.119 0.000 -1.248) 25.150 3.815 ( -1.576 0.000 -4.875) 5.124 4.836 ( -1.806 -0.000 6.623) 6.865 5.136 ( -5.544 0.000 2.247) 5.982 5.560 ( 1.134 0.000 -3.776) 3.943 5.949 ( 8.831 -0.000 -2.438) 9.162 7.357 ( -10.042 0.000 -12.110) 15.732 7.640 ( -7.220 0.000 -10.310) 12.586 8.085 ( 6.656 -0.000 -3.248) 7.406 8.251 ( -2.415 0.000 -2.116) 3.211 8.438 ( -10.633 0.000 -20.369) 22.978 8.893 ( -20.638 -0.000 25.947) 33.154 9.199 ( 4.328 -0.000 9.472) 10.414 9.685 ( -5.902 0.000 2.987) 6.615 9.997 ( 4.104 -0.000 12.209) 12.880 10.477 ( 13.718 0.000 -18.709) 23.199 11.478 ( -9.335 0.000 -9.958) 13.649 11.546 ( -30.863 0.000 25.893) 40.286 12.179 ( 22.715 0.000 -29.327) 37.095 12.450 ( -12.524 0.000 -0.968) 12.561 12.626 ( 2.178 0.000 -24.686) 24.782 13.266 ( -7.188 0.000 -8.336) 11.007 13.277 ( -1.439 0.000 -3.551) 3.832 14.016 ( -6.433 0.000 5.996) 8.794 15.000 ( -4.082 -0.000 17.698) 18.163 15.482 ( -2.528 0.000 1.575) 2.979 15.623 ( -1.188 0.000 -10.537) 10.604 15.927 ( -14.647 0.000 1.181) 14.694 16.239 ( 7.637 -0.000 -4.979) 9.117 16.741 ( -3.022 0.000 -0.948) 3.167 17.070 ( 4.397 -0.000 1.450) 4.630 17.213 ( -3.961 0.000 -1.157) 4.127 17.221 ( 0.535 -0.000 0.938) 1.080 17.259 ( 13.617 -0.000 4.638) 14.385 17.642 ( 4.567 0.000 -8.021) 9.230 17.754 ( -4.419 0.000 -3.858) 5.866 17.764 ( -24.141 0.000 6.929) 25.115 18.366 ( -6.315 -0.000 12.608) 14.101 18.416 ( 15.345 -0.000 17.361) 23.170 18.417 ( 3.460 -0.000 1.147) 3.645 18.614 ( 8.547 0.000 -12.578) 15.207 18.681 ( -8.776 -0.000 15.517) 17.826 19.347 ( -12.549 -0.000 14.783) 19.392 19.447 ( -3.449 0.000 -4.484) 5.657 19.601 ( 11.732 -0.000 10.821) 15.961 19.818 ( -19.639 0.000 8.145) 21.261 20.132 ( -6.765 0.000 6.640) 9.479 20.264 ( -1.078 0.000 -23.560) 23.585 20.667 ( -11.823 0.000 4.091) 12.510 20.911 ( 20.590 -0.000 16.854) 26.609 21.275 ( -5.570 0.000 -5.176) 7.604 21.345 ( 0.270 0.000 -9.404) 9.408 21.425 ( 20.354 -0.000 1.820) 20.435 21.489 ( 21.541 -0.000 -3.297) 21.792 21.699 ( 3.517 -0.000 0.290) 3.529 21.981 ( -6.810 -0.000 8.146) 10.617 22.134 ( -6.917 0.000 -0.002) 6.917 22.217 ( 10.885 -0.000 -7.339) 13.128 22.315 ( -0.485 0.000 -5.497) 5.518 22.557 ( -2.574 0.000 -4.817) 5.462 22.664 ( -9.528 0.000 1.920) 9.719 22.716 ( -5.457 0.000 5.342) 7.636 23.245 ( -4.504 0.000 -3.849) 5.925 23.277 ( -3.983 0.000 1.415) 4.227 23.300 ( 5.231 0.000 -9.210) 10.592 23.775 ( -1.452 -0.000 1.842) 2.346 23.855 ( 0.821 -0.000 -0.638) 1.040 24.070 ( 4.992 -0.000 4.818) 6.938 24.203 ( 27.156 -0.000 -4.438) 27.516 24.257 ( 12.641 -0.000 -0.677) 12.659 24.289 ( 7.124 0.000 -11.585) 13.600 24.392 ( 5.930 0.000 -6.989) 9.166 24.686 ( -2.152 -0.000 4.537) 5.021 25.233 ( -3.540 -0.000 8.557) 9.260 25.244 ( 1.056 0.000 -1.175) 1.580 25.488 ( 8.039 -0.000 3.233) 8.665 25.513 ( 2.365 0.000 -4.631) 5.200 25.558 ( -0.214 -0.000 4.301) 4.307 26.631 ( 2.068 -0.000 0.140) 2.073 26.854 ( 3.349 -0.000 1.782) 3.793 26.862 ( 2.855 -0.000 4.122) 5.014 27.082 ( 2.998 -0.000 3.925) 4.939 27.616 ( -5.752 0.000 1.222) 5.881 28.182 ( 0.573 0.000 -12.548) 12.561 28.756 ( -1.506 0.000 -6.592) 6.762 29.080 ( -8.914 0.000 -4.242) 9.872 29.854 ( -5.848 0.000 3.107) 6.623 30.049 ( 1.281 -0.000 -0.533) 1.388 30.195 ( -4.295 0.000 0.362) 4.310 30.212 ( -8.204 0.000 2.374) 8.541 30.643 ( 1.522 -0.000 9.852) 9.969 30.695 ( 8.310 -0.000 -3.189) 8.901 30.934 ( -1.048 0.000 -2.674) 2.872 31.071 ( -0.165 0.000 -1.272) 1.283 31.881 ( -4.732 0.000 0.957) 4.828 32.156 ( 3.165 -0.000 -0.722) 3.246 ======================= Grid point 92 (73/105) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 0.000 0.000 -9.026) 9.026 3.157 ( 0.000 0.000 -13.691) 13.691 3.479 ( 0.000 0.000 -78.953) 78.953 4.260 ( 0.000 0.000 -70.792) 70.792 4.992 ( 0.000 0.000 -90.605) 90.605 5.102 ( 0.000 0.000 -2.438) 2.438 5.140 ( -0.000 -0.000 4.153) 4.153 6.139 ( 0.000 0.000 -13.374) 13.374 6.746 ( 0.000 0.000 -24.792) 24.792 7.800 ( 0.000 0.000 -5.915) 5.915 8.249 ( -0.000 -0.000 3.360) 3.360 9.125 ( -0.000 -0.000 4.777) 4.777 9.469 ( -0.000 -0.000 0.729) 0.729 9.635 ( -0.000 -0.000 37.937) 37.937 10.134 ( -0.000 -0.000 13.115) 13.115 10.303 ( 0.000 0.000 -1.128) 1.128 10.848 ( 0.000 0.000 -7.941) 7.941 11.967 ( 0.000 0.000 -6.970) 6.970 11.975 ( 0.000 0.000 -0.925) 0.925 12.457 ( -0.000 -0.000 58.076) 58.076 13.108 ( 0.000 0.000 -2.858) 2.858 13.118 ( -0.000 -0.000 37.686) 37.686 13.556 ( -0.000 -0.000 9.859) 9.859 14.000 ( -0.000 -0.000 1.687) 1.687 14.614 ( -0.000 -0.000 0.209) 0.209 14.944 ( -0.000 -0.000 1.100) 1.100 15.890 ( -0.000 -0.000 2.838) 2.838 16.147 ( 0.000 0.000 -4.061) 4.061 16.617 ( -0.000 -0.000 1.458) 1.458 16.928 ( 0.000 0.000 -5.657) 5.657 16.985 ( 0.000 0.000 -11.994) 11.994 17.141 ( 0.000 0.000 -1.181) 1.181 17.419 ( 0.000 0.000 -2.081) 2.081 17.519 ( -0.000 -0.000 3.679) 3.679 17.566 ( 0.000 0.000 -2.401) 2.401 18.003 ( 0.000 0.000 -16.553) 16.553 18.024 ( -0.000 -0.000 6.834) 6.834 18.107 ( 0.000 0.000 -10.519) 10.519 18.164 ( -0.000 -0.000 6.978) 6.978 18.382 ( 0.000 0.000 -21.700) 21.700 18.409 ( 0.000 0.000 -6.149) 6.149 18.736 ( 0.000 0.000 -7.482) 7.482 18.983 ( 0.000 0.000 -2.442) 2.442 19.106 ( -0.000 -0.000 7.003) 7.003 19.575 ( -0.000 -0.000 11.662) 11.662 19.842 ( -0.000 -0.000 13.973) 13.973 19.929 ( -0.000 -0.000 33.936) 33.936 20.188 ( 0.000 0.000 -13.181) 13.181 20.309 ( -0.000 -0.000 17.257) 17.257 21.252 ( 0.000 0.000 -17.411) 17.411 21.323 ( -0.000 -0.000 8.253) 8.253 21.454 ( -0.000 -0.000 3.957) 3.957 21.928 ( 0.000 0.000 -13.452) 13.452 21.955 ( -0.000 -0.000 3.107) 3.107 21.981 ( 0.000 0.000 -17.316) 17.316 22.071 ( -0.000 -0.000 1.310) 1.310 22.160 ( -0.000 -0.000 2.441) 2.441 22.274 ( -0.000 -0.000 12.611) 12.611 22.476 ( -0.000 -0.000 0.372) 0.372 22.821 ( 0.000 0.000 -2.278) 2.278 22.830 ( 0.000 0.000 -13.063) 13.063 22.900 ( 0.000 0.000 -13.912) 13.912 23.155 ( -0.000 -0.000 4.686) 4.686 23.371 ( -0.000 -0.000 7.510) 7.510 23.389 ( -0.000 -0.000 5.388) 5.388 23.649 ( 0.000 0.000 -12.061) 12.061 23.887 ( -0.000 -0.000 1.610) 1.610 23.950 ( -0.000 -0.000 16.605) 16.605 24.080 ( 0.000 0.000 -0.584) 0.584 24.189 ( -0.000 -0.000 4.347) 4.347 24.278 ( 0.000 0.000 -7.234) 7.234 25.038 ( 0.000 0.000 -0.732) 0.732 25.104 ( 0.000 0.000 -6.692) 6.692 25.171 ( -0.000 -0.000 3.782) 3.782 25.341 ( 0.000 0.000 -2.099) 2.099 25.519 ( 0.000 0.000 -2.733) 2.733 25.850 ( -0.000 -0.000 6.236) 6.236 25.951 ( -0.000 -0.000 0.433) 0.433 26.652 ( 0.000 0.000 -1.081) 1.081 26.757 ( 0.000 0.000 -3.275) 3.275 26.935 ( 0.000 0.000 -0.600) 0.600 27.187 ( 0.000 0.000 -1.933) 1.933 27.628 ( 0.000 0.000 -8.812) 8.812 27.870 ( -0.000 -0.000 11.265) 11.265 28.401 ( 0.000 0.000 -7.398) 7.398 28.949 ( -0.000 -0.000 8.581) 8.581 29.420 ( 0.000 0.000 -1.641) 1.641 29.890 ( -0.000 -0.000 3.183) 3.183 29.919 ( 0.000 0.000 -3.068) 3.068 29.991 ( 0.000 0.000 -3.371) 3.371 30.674 ( 0.000 0.000 -6.641) 6.641 30.894 ( 0.000 0.000 -3.780) 3.780 30.941 ( 0.000 0.000 -0.487) 0.487 31.269 ( -0.000 -0.000 7.667) 7.667 31.783 ( -0.000 -0.000 1.975) 1.975 32.218 ( 0.000 0.000 -0.296) 0.296 ======================= Grid point 93 (74/105) ======================= q-point: ( 0.23 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.297 ( 21.002 0.833 0.731) 21.031 3.640 ( -13.838 -0.133 -0.971) 13.872 5.196 ( 13.281 2.875 -1.295) 13.650 5.310 ( 6.188 -0.385 -1.665) 6.420 5.491 ( -8.494 3.042 3.886) 9.824 5.592 ( -11.315 -4.635 -0.767) 12.252 7.462 ( 17.231 3.617 3.316) 17.917 7.713 ( 10.853 1.546 2.949) 11.352 7.780 ( -6.252 -3.160 2.168) 7.333 7.927 ( -11.299 -2.220 -1.051) 11.563 8.683 ( 6.974 12.390 9.879) 17.313 8.898 ( 4.853 -9.218 -8.388) 13.375 9.614 ( 26.522 -5.010 -7.002) 27.885 10.072 ( -22.677 0.987 3.427) 22.956 10.514 ( -4.293 11.914 -7.393) 14.664 10.666 ( 9.169 27.763 -5.479) 29.746 10.836 ( -8.221 -16.555 11.214) 21.620 11.536 ( -11.862 -28.718 0.094) 31.072 11.703 ( 27.509 -5.074 4.783) 28.379 12.186 ( -18.046 5.266 8.142) 20.486 12.424 ( -4.847 17.624 -13.207) 22.550 12.943 ( 1.809 -25.365 5.404) 25.997 13.684 ( 16.405 12.095 -4.934) 20.970 13.903 ( 8.247 -1.437 4.601) 9.552 15.310 ( 10.091 -1.567 3.060) 10.661 15.502 ( -7.895 -1.087 -1.427) 8.097 15.793 ( 1.874 6.811 -8.931) 11.387 15.979 ( 4.298 -12.013 8.684) 15.434 16.399 ( 10.472 15.518 5.224) 19.436 16.596 ( -1.582 2.092 -7.376) 7.828 16.895 ( 3.581 -1.441 1.405) 4.107 17.138 ( 5.815 -15.366 -12.542) 20.669 17.288 ( -7.000 -0.279 9.237) 11.593 17.331 ( -6.495 -3.006 -0.947) 7.220 17.981 ( -0.493 19.774 0.321) 19.783 18.155 ( 2.818 6.882 1.864) 7.667 18.241 ( -8.785 6.605 -1.586) 11.105 18.279 ( 4.904 -0.488 -1.046) 5.038 18.392 ( -5.929 0.262 -0.865) 5.998 18.558 ( -1.912 -12.402 -2.894) 12.878 18.902 ( 1.969 19.575 -0.450) 19.679 19.023 ( 3.582 2.475 -6.579) 7.890 19.293 ( -2.558 -7.588 8.352) 11.570 19.531 ( -3.635 -1.902 -1.281) 4.298 19.573 ( 2.183 -22.339 1.116) 22.474 19.615 ( -7.034 -1.634 0.254) 7.226 20.133 ( 2.773 4.253 -1.231) 5.224 20.224 ( -2.137 -5.204 3.964) 6.882 20.538 ( 16.615 4.292 -6.680) 18.415 20.948 ( -16.036 -2.701 3.176) 16.569 21.008 ( 5.015 0.545 1.946) 5.407 21.073 ( 0.177 -0.990 -1.254) 1.607 21.184 ( -9.564 11.181 3.006) 15.017 21.346 ( -4.535 -3.695 -0.441) 5.866 21.850 ( -0.066 5.658 -1.313) 5.808 21.939 ( -1.195 -0.468 -0.573) 1.406 22.152 ( 1.848 0.827 1.965) 2.821 22.261 ( 2.301 -7.178 -0.699) 7.571 22.321 ( -2.623 -0.578 -2.458) 3.641 22.409 ( -4.728 -7.281 1.751) 8.856 22.626 ( 14.375 2.114 0.159) 14.531 22.813 ( 0.598 0.383 -1.396) 1.566 23.240 ( 1.351 0.033 4.040) 4.260 23.245 ( 7.010 -0.135 -2.722) 7.521 23.556 ( -4.863 0.708 0.488) 4.938 23.807 ( -8.719 3.812 -5.841) 11.166 23.818 ( -5.851 1.738 3.573) 7.073 23.878 ( 3.570 1.421 4.012) 5.554 23.911 ( -3.763 0.964 1.203) 4.067 24.046 ( -5.071 -2.379 -4.098) 6.940 24.129 ( -4.471 1.695 2.721) 5.501 24.176 ( -2.485 -2.716 -0.868) 3.782 24.875 ( 7.834 0.416 -1.263) 7.946 25.050 ( -5.923 -2.973 0.982) 6.699 25.331 ( -1.220 1.625 1.632) 2.606 25.358 ( -0.784 -1.201 -1.201) 1.871 25.590 ( 0.925 1.050 -0.746) 1.586 25.606 ( 0.956 -0.444 0.632) 1.229 26.706 ( -1.263 3.995 -0.222) 4.195 26.777 ( -1.365 -2.920 0.140) 3.226 26.946 ( 1.291 0.657 -1.148) 1.849 27.014 ( -3.783 -1.076 0.842) 4.022 27.782 ( 0.909 3.141 -1.958) 3.812 27.862 ( 0.450 -4.513 1.983) 4.950 28.884 ( 2.946 6.753 0.848) 7.416 29.024 ( 1.528 -5.481 -0.641) 5.726 30.021 ( 2.550 1.770 1.149) 3.309 30.048 ( 0.377 0.345 0.033) 0.512 30.258 ( 6.717 -1.840 -1.894) 7.217 30.401 ( -7.744 -0.679 0.557) 7.793 30.490 ( 7.570 1.392 0.222) 7.700 30.653 ( -5.578 -1.285 0.478) 5.744 30.970 ( 0.488 2.042 -0.438) 2.144 31.025 ( -0.900 -1.774 -0.123) 1.992 31.989 ( 3.709 0.569 -0.252) 3.760 32.068 ( -3.335 -0.593 0.218) 3.395 ======================= Grid point 96 (75/105) ======================= q-point: (-0.38 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.413 ( -26.993 -1.767 -0.000) 27.051 4.045 ( 23.547 1.959 0.000) 23.628 4.620 ( -15.895 -8.148 -0.000) 17.862 5.166 ( -0.612 -1.297 -0.000) 1.434 5.616 ( 6.495 0.324 0.000) 6.503 5.726 ( 9.786 6.120 0.000) 11.542 7.577 ( 13.500 -4.413 0.000) 14.203 7.783 ( 24.197 -0.658 0.000) 24.206 7.895 ( -15.853 23.711 0.000) 28.522 8.034 ( 5.568 8.259 0.000) 9.961 8.519 ( -39.587 8.950 -0.000) 40.586 9.080 ( -5.221 -17.804 -0.000) 18.553 9.298 ( 34.059 0.974 0.000) 34.073 9.422 ( 6.147 -5.474 -0.000) 8.231 9.614 ( -12.434 -22.566 -0.000) 25.765 11.045 ( 6.473 12.495 0.000) 14.072 11.496 ( 13.170 -13.626 -0.000) 18.951 11.526 ( -30.227 9.043 -0.000) 31.551 12.064 ( 47.136 4.972 0.000) 47.397 12.856 ( -10.545 4.552 0.000) 11.485 13.157 ( -17.267 31.350 0.000) 35.790 13.203 ( 4.808 0.218 0.000) 4.812 13.717 ( -4.641 0.500 -0.000) 4.668 13.876 ( 3.265 -6.856 -0.000) 7.593 14.393 ( 9.158 -14.232 -0.000) 16.924 14.870 ( 5.401 5.383 0.000) 7.625 16.050 ( -8.490 3.854 0.000) 9.324 16.454 ( -11.905 15.820 0.000) 19.799 16.544 ( 2.317 -8.075 -0.000) 8.400 16.673 ( 14.160 -1.218 0.000) 14.213 16.996 ( -8.334 -0.203 -0.000) 8.337 17.189 ( -6.705 -9.740 -0.000) 11.825 17.293 ( -1.654 4.815 0.000) 5.091 17.486 ( 4.415 -10.832 -0.000) 11.697 17.675 ( -4.427 -13.119 -0.000) 13.846 17.785 ( -4.919 -0.139 -0.000) 4.921 18.034 ( -11.627 -3.526 -0.000) 12.150 18.381 ( -10.804 -4.925 -0.000) 11.873 18.391 ( -0.961 2.235 0.000) 2.433 18.453 ( -16.299 2.239 -0.000) 16.452 18.688 ( -10.363 -14.643 -0.000) 17.939 19.001 ( 7.832 -8.501 -0.000) 11.559 19.057 ( 10.512 2.346 0.000) 10.771 19.454 ( -22.779 -0.372 -0.000) 22.782 19.459 ( -7.737 -1.342 -0.000) 7.852 19.625 ( 1.564 -4.126 -0.000) 4.412 19.983 ( -6.962 1.616 -0.000) 7.147 20.234 ( -15.082 9.208 0.000) 17.670 20.499 ( 7.647 1.141 0.000) 7.732 20.716 ( 13.113 4.041 0.000) 13.722 20.821 ( 21.215 7.534 0.000) 22.513 21.151 ( -5.616 23.926 0.000) 24.576 21.433 ( 12.974 -1.634 0.000) 13.076 21.483 ( 0.586 -2.079 -0.000) 2.160 21.834 ( -1.966 -5.343 -0.000) 5.694 21.887 ( -8.031 -7.299 -0.000) 10.852 22.191 ( 0.753 -3.276 -0.000) 3.361 22.317 ( 10.202 -0.873 0.000) 10.239 22.434 ( 3.945 3.662 0.000) 5.383 22.611 ( 1.789 7.514 0.000) 7.724 22.927 ( -12.368 1.191 -0.000) 12.425 23.052 ( -9.192 1.457 -0.000) 9.307 23.204 ( 6.752 0.091 0.000) 6.752 23.436 ( -2.975 -1.349 -0.000) 3.266 23.439 ( 8.343 -1.092 0.000) 8.414 23.514 ( 27.564 0.454 0.000) 27.568 23.623 ( -3.264 -1.499 -0.000) 3.592 23.768 ( -0.997 -11.722 -0.000) 11.765 23.917 ( 8.271 4.403 0.000) 9.370 24.073 ( 2.879 -3.161 -0.000) 4.276 24.484 ( 7.137 0.821 0.000) 7.184 24.677 ( -12.511 7.261 0.000) 14.465 24.677 ( 6.236 -5.579 -0.000) 8.367 24.984 ( -6.701 3.337 0.000) 7.486 25.197 ( 4.463 -0.101 0.000) 4.464 25.213 ( 2.059 4.631 0.000) 5.068 25.402 ( -0.936 -3.564 -0.000) 3.685 25.560 ( 3.799 0.820 0.000) 3.886 26.653 ( 1.697 -0.728 0.000) 1.846 26.719 ( 2.740 0.766 0.000) 2.845 26.756 ( -0.293 -1.745 -0.000) 1.769 26.866 ( 0.529 0.794 0.000) 0.954 27.832 ( -6.868 -4.183 -0.000) 8.042 28.394 ( 3.419 7.958 0.000) 8.661 29.052 ( -0.082 -6.726 -0.000) 6.726 29.380 ( -3.740 3.167 0.000) 4.901 29.762 ( 0.297 -1.705 -0.000) 1.731 29.898 ( 3.684 1.227 0.000) 3.883 30.242 ( -2.771 -1.065 -0.000) 2.969 30.323 ( -1.152 0.123 -0.000) 1.159 30.367 ( -5.582 -0.970 -0.000) 5.666 30.616 ( 5.718 2.762 0.000) 6.350 31.085 ( 3.710 -1.777 -0.000) 4.114 31.097 ( -6.156 1.257 -0.000) 6.283 31.970 ( -5.042 -0.383 -0.000) 5.056 32.090 ( 4.298 0.361 0.000) 4.313 ======================= Grid point 97 (76/105) ======================= q-point: (-0.38 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -18.493 1.297 1.381) 18.590 3.372 ( -12.696 -1.376 -3.410) 13.218 5.016 ( 0.097 -1.928 1.865) 2.684 5.023 ( 4.002 -0.250 1.877) 4.427 5.659 ( 3.609 -6.510 -8.014) 10.937 5.966 ( 0.221 19.900 -3.257) 20.166 7.035 ( -8.072 19.561 23.713) 31.782 7.385 ( -1.759 9.267 3.731) 10.143 7.658 ( -22.974 5.436 -38.512) 45.172 8.068 ( -9.587 1.487 9.506) 13.583 8.205 ( -3.029 -5.669 -5.117) 8.215 8.358 ( 0.875 2.321 1.157) 2.737 8.462 ( -10.222 -1.175 5.032) 11.454 9.637 ( -2.121 -14.055 6.140) 15.483 10.210 ( -0.650 -3.084 -3.347) 4.597 10.647 ( -14.310 -8.915 0.414) 16.865 11.217 ( 8.592 -2.209 -26.193) 27.655 11.346 ( 5.160 -8.202 -16.006) 18.711 11.955 ( -11.340 4.600 0.779) 12.262 12.233 ( 1.089 -0.648 -3.313) 3.547 12.629 ( -18.707 4.411 -6.241) 20.207 12.763 ( -11.986 4.531 9.528) 15.967 13.148 ( 18.363 12.409 -17.906) 28.493 13.600 ( -4.406 22.727 3.727) 23.448 14.897 ( -4.134 0.712 -4.924) 6.469 15.098 ( -6.338 -6.923 -8.399) 12.596 15.804 ( 5.747 -8.105 3.286) 10.465 15.981 ( 7.902 13.989 6.657) 17.391 16.587 ( 8.371 -6.114 -0.342) 10.372 16.931 ( 11.846 3.409 3.409) 12.789 17.110 ( -2.578 -10.590 3.678) 11.504 17.161 ( -2.436 6.282 -0.666) 6.771 17.457 ( 1.891 -7.448 -4.237) 8.775 17.472 ( -4.021 2.027 3.981) 6.010 17.748 ( 12.065 -4.855 -2.280) 13.204 17.887 ( 2.303 -10.172 2.990) 10.850 17.996 ( 9.671 -7.875 4.399) 13.225 18.153 ( 0.498 2.172 16.883) 17.030 18.371 ( -5.030 -7.254 2.625) 9.209 18.382 ( -3.112 -3.717 3.449) 5.950 18.555 ( -12.332 -4.042 0.900) 13.009 18.880 ( 5.262 -3.198 9.536) 11.351 19.175 ( -1.914 9.705 3.599) 10.526 19.218 ( -7.770 6.609 -1.433) 10.300 19.415 ( -22.992 -0.372 8.052) 24.364 19.574 ( 14.548 -6.603 -14.521) 21.590 19.664 ( -16.126 -2.929 -5.583) 17.315 20.295 ( -9.991 -6.023 -19.962) 23.121 20.847 ( 22.832 -1.332 8.646) 24.451 20.927 ( -2.489 7.246 -16.521) 18.211 21.158 ( -1.782 -4.756 4.353) 6.690 21.384 ( 1.074 9.623 8.644) 12.979 21.520 ( -5.933 1.146 14.345) 15.566 21.808 ( 4.282 1.819 4.947) 6.791 21.848 ( 4.514 6.060 2.815) 8.063 22.100 ( 0.646 -0.093 4.064) 4.116 22.217 ( 0.164 -3.207 10.214) 10.707 22.321 ( 2.320 4.837 2.976) 6.135 22.361 ( 0.729 -0.201 -4.189) 4.256 22.482 ( 11.122 -1.532 4.281) 12.016 22.579 ( 0.916 0.512 5.528) 5.626 22.710 ( 4.144 -0.301 6.313) 7.558 23.048 ( -7.083 -0.218 3.450) 7.881 23.340 ( 2.887 -3.073 -5.333) 6.798 23.521 ( 0.495 -0.760 -5.408) 5.483 23.620 ( -6.372 -5.260 -0.255) 8.266 23.916 ( 0.148 -4.337 0.064) 4.340 24.056 ( -5.959 3.963 4.752) 8.591 24.133 ( 0.630 3.886 -2.096) 4.460 24.461 ( 3.008 1.826 -14.968) 15.376 24.747 ( 5.463 -2.719 5.724) 8.367 24.821 ( -1.048 -0.077 -11.811) 11.857 25.029 ( 5.438 2.400 0.856) 6.006 25.172 ( 3.740 0.264 2.092) 4.294 25.472 ( 5.155 -0.067 -7.470) 9.076 25.548 ( 1.571 0.660 -5.479) 5.738 25.664 ( 11.271 0.516 4.701) 12.223 26.052 ( 18.862 2.987 -6.584) 20.200 26.687 ( -1.368 0.114 -0.107) 1.377 26.901 ( -2.849 1.545 -0.982) 3.386 26.952 ( 0.303 0.699 0.837) 1.132 27.141 ( -0.179 -1.155 3.728) 3.907 27.439 ( -3.312 -2.646 7.497) 8.612 28.125 ( -0.802 3.617 -12.948) 13.468 28.634 ( -6.693 3.149 2.063) 7.679 28.779 ( -1.192 -3.760 -5.419) 6.702 29.593 ( -6.502 -3.225 -0.715) 7.293 29.893 ( -5.548 2.060 -1.173) 6.033 30.034 ( -0.566 0.892 -1.978) 2.242 30.080 ( -1.728 1.930 -0.194) 2.597 30.660 ( -0.196 -0.490 10.554) 10.567 30.920 ( 0.685 0.443 0.657) 1.048 30.970 ( 4.312 2.479 -1.184) 5.112 31.113 ( 1.382 -3.173 -3.881) 5.200 31.708 ( -3.777 -1.089 2.517) 4.668 32.244 ( 1.370 0.435 -1.286) 1.928 ======================= Grid point 102 (77/105) ======================= q-point: ( 0.41 -0.41 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( -29.291 -1.777 -0.000) 29.345 4.027 ( -24.714 -9.184 -0.000) 26.366 4.740 ( 14.308 1.198 0.000) 14.358 5.098 ( -14.403 2.481 -0.000) 14.615 5.290 ( -25.419 30.804 0.000) 39.937 5.752 ( -15.349 9.032 0.000) 17.809 6.206 ( -15.715 43.360 0.000) 46.120 6.301 ( -13.184 7.161 0.000) 15.003 7.859 ( 2.177 1.086 0.000) 2.433 8.083 ( -1.383 4.983 0.000) 5.171 8.325 ( 1.439 -0.306 0.000) 1.471 8.429 ( -68.373 60.598 0.000) 91.362 9.663 ( 13.321 -11.435 -0.000) 17.555 9.783 ( 6.640 -20.453 -0.000) 21.503 10.158 ( 5.633 -7.528 -0.000) 9.402 10.871 ( 29.951 -15.013 -0.000) 33.503 11.226 ( -1.123 5.429 0.000) 5.544 11.646 ( -20.368 16.241 0.000) 26.050 12.220 ( 1.791 -25.771 -0.000) 25.833 12.255 ( 5.746 34.036 0.000) 34.517 12.673 ( -7.158 -16.922 -0.000) 18.374 13.072 ( -30.698 4.649 -0.000) 31.048 13.863 ( 15.803 -1.482 0.000) 15.872 13.971 ( 7.832 -1.858 0.000) 8.049 14.910 ( 9.535 -5.960 -0.000) 11.244 15.010 ( 11.905 16.104 0.000) 20.027 15.792 ( -14.415 -4.194 -0.000) 15.013 15.874 ( -4.034 -3.774 -0.000) 5.524 16.493 ( -1.545 -2.598 -0.000) 3.023 16.945 ( 3.745 5.666 0.000) 6.792 17.057 ( -4.156 -14.666 -0.000) 15.243 17.312 ( -3.731 6.153 0.000) 7.195 17.336 ( 0.897 -11.319 -0.000) 11.355 17.618 ( -5.496 -4.071 -0.000) 6.839 17.733 ( 6.603 0.777 0.000) 6.649 17.770 ( 0.853 -2.233 -0.000) 2.390 17.789 ( -3.969 -1.528 -0.000) 4.253 18.205 ( -4.248 -3.984 -0.000) 5.824 18.480 ( 1.845 -1.889 -0.000) 2.641 18.514 ( -13.338 -15.096 -0.000) 20.144 18.520 ( -15.337 -0.117 -0.000) 15.338 18.898 ( -12.340 11.545 0.000) 16.899 18.964 ( 0.163 -10.873 -0.000) 10.875 19.325 ( -3.611 7.333 0.000) 8.174 19.328 ( -4.156 -23.642 -0.000) 24.004 19.681 ( 32.133 6.015 0.000) 32.691 20.060 ( 9.493 -3.066 0.000) 9.976 20.312 ( 20.715 -5.141 0.000) 21.344 20.487 ( -10.195 -5.348 -0.000) 11.513 20.945 ( 2.774 3.952 0.000) 4.829 21.093 ( 10.337 7.613 0.000) 12.838 21.247 ( 3.801 2.076 0.000) 4.331 21.505 ( -1.532 -1.620 -0.000) 2.230 21.534 ( -0.048 8.369 0.000) 8.369 21.790 ( -4.750 -7.865 -0.000) 9.188 21.792 ( 5.379 3.064 0.000) 6.190 22.113 ( -12.679 0.791 -0.000) 12.704 22.289 ( -0.169 -1.411 -0.000) 1.422 22.329 ( -1.235 8.306 0.000) 8.397 22.498 ( -3.521 -2.116 -0.000) 4.107 22.551 ( -9.929 -2.896 -0.000) 10.343 22.610 ( -1.342 0.760 0.000) 1.542 23.221 ( -8.939 -4.518 -0.000) 10.016 23.457 ( 2.550 -1.488 -0.000) 2.953 23.544 ( 1.497 11.002 0.000) 11.104 23.765 ( 8.726 -3.983 -0.000) 9.592 23.954 ( -5.396 3.021 0.000) 6.185 23.989 ( 0.354 -4.961 -0.000) 4.974 24.111 ( -3.978 4.519 0.000) 6.021 24.503 ( 11.004 4.346 0.000) 11.831 24.708 ( 1.838 6.459 0.000) 6.715 24.909 ( 7.786 -5.740 -0.000) 9.673 25.045 ( 8.820 -3.786 0.000) 9.598 25.125 ( 29.798 -0.687 0.000) 29.806 25.225 ( 2.096 0.839 0.000) 2.258 25.291 ( -0.318 -0.625 -0.000) 0.701 25.536 ( 21.081 7.789 0.000) 22.474 25.596 ( 0.944 5.388 0.000) 5.471 26.760 ( -1.996 -0.922 -0.000) 2.199 26.833 ( 3.944 -1.612 0.000) 4.260 26.888 ( 5.295 2.087 0.000) 5.692 26.906 ( 1.800 1.313 0.000) 2.228 27.629 ( -9.789 -6.946 -0.000) 12.003 28.309 ( 0.843 7.159 0.000) 7.208 28.842 ( -17.050 6.300 -0.000) 18.177 29.062 ( -2.970 -4.805 -0.000) 5.649 29.759 ( -3.126 -4.174 -0.000) 5.215 29.866 ( -2.188 8.108 0.000) 8.398 30.093 ( -5.131 0.931 -0.000) 5.215 30.214 ( -4.918 -2.430 -0.000) 5.485 30.325 ( 0.445 -2.455 -0.000) 2.495 30.808 ( 6.867 3.511 0.000) 7.712 30.916 ( -1.798 0.361 -0.000) 1.834 31.262 ( 2.510 -4.168 -0.000) 4.866 31.785 ( -5.124 -1.850 -0.000) 5.447 32.220 ( 2.773 0.883 0.000) 2.911 ======================= Grid point 105 (78/105) ======================= q-point: (-0.19 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -19.325 0.000 -3.031) 19.561 3.356 ( -14.591 0.000 2.753) 14.848 4.954 ( -7.766 0.000 -24.872) 26.056 5.029 ( 5.590 -0.000 -2.156) 5.992 5.152 ( -4.111 0.000 -18.311) 18.767 5.741 ( 1.823 0.000 -46.284) 46.320 6.435 ( -20.560 0.000 -36.285) 41.705 6.524 ( -1.616 0.000 -28.838) 28.883 7.599 ( -12.872 0.000 -17.459) 21.691 8.253 ( -10.932 0.000 4.272) 11.737 8.265 ( -2.864 0.000 -26.878) 27.031 8.849 ( -7.023 -0.000 45.956) 46.490 9.172 ( -9.839 0.000 -22.265) 24.342 9.508 ( -7.305 -0.000 47.612) 48.169 9.549 ( 8.312 0.000 -20.420) 22.047 10.418 ( -13.335 0.000 3.375) 13.756 10.899 ( 7.586 -0.000 -7.568) 10.716 11.403 ( 6.599 -0.000 14.082) 15.552 11.990 ( 7.873 -0.000 -4.492) 9.065 12.391 ( -1.705 -0.000 21.776) 21.843 12.424 ( -17.583 0.000 -6.816) 18.858 13.153 ( 5.447 -0.000 -0.128) 5.448 13.313 ( -7.805 -0.000 20.809) 22.225 13.993 ( 0.665 -0.000 2.206) 2.304 14.712 ( -6.478 0.000 -5.557) 8.535 14.942 ( -2.820 0.000 -3.031) 4.140 15.784 ( 5.481 -0.000 2.361) 5.968 16.167 ( 5.497 -0.000 -0.813) 5.557 16.546 ( 7.865 -0.000 0.315) 7.872 16.988 ( 9.953 -0.000 -3.965) 10.714 17.088 ( -2.166 0.000 2.190) 3.080 17.176 ( -3.579 0.000 -0.278) 3.590 17.353 ( 6.188 -0.000 2.854) 6.814 17.474 ( 4.838 -0.000 -4.195) 6.403 17.572 ( -3.320 0.000 -4.647) 5.711 17.858 ( 5.187 -0.000 7.715) 9.296 17.890 ( 4.019 -0.000 4.396) 5.956 18.309 ( 15.857 -0.000 -1.159) 15.900 18.392 ( -13.587 0.000 -6.401) 15.019 18.516 ( -3.889 0.000 3.464) 5.208 18.696 ( -4.336 -0.000 7.701) 8.838 19.013 ( 7.274 -0.000 15.745) 17.344 19.045 ( 10.992 0.000 -12.543) 16.677 19.102 ( -29.577 0.000 -21.981) 36.851 19.290 ( -22.694 0.000 4.235) 23.086 19.746 ( -3.121 -0.000 22.529) 22.744 19.808 ( -9.741 0.000 -16.354) 19.035 19.940 ( -11.102 -0.000 19.250) 22.222 20.570 ( -2.882 0.000 -21.325) 21.519 21.024 ( 16.900 -0.000 10.440) 19.865 21.198 ( 5.307 -0.000 5.021) 7.306 21.636 ( -2.915 0.000 -3.704) 4.714 21.845 ( 1.573 -0.000 17.804) 17.874 21.924 ( -3.524 0.000 -1.521) 3.838 21.998 ( 4.300 -0.000 3.546) 5.574 22.099 ( -3.036 0.000 -1.523) 3.397 22.163 ( 7.338 -0.000 -7.208) 10.285 22.300 ( -2.907 0.000 -5.123) 5.891 22.451 ( -0.467 -0.000 1.691) 1.754 22.670 ( 25.189 -0.000 14.411) 29.020 22.770 ( -2.062 -0.000 9.313) 9.539 22.845 ( 12.800 -0.000 9.903) 16.183 23.063 ( 4.049 0.000 -5.440) 6.781 23.213 ( -2.421 0.000 -3.730) 4.447 23.286 ( 1.598 0.000 -6.598) 6.789 23.640 ( -2.322 0.000 0.753) 2.441 23.891 ( 0.401 0.000 -1.257) 1.319 24.100 ( 0.506 0.000 -2.566) 2.615 24.168 ( -5.938 0.000 -8.050) 10.003 24.171 ( -5.111 0.000 1.962) 5.475 24.544 ( -2.173 0.000 -13.235) 13.412 24.839 ( 14.437 -0.000 3.361) 14.823 25.101 ( 3.610 -0.000 3.719) 5.183 25.272 ( 2.815 0.000 -9.806) 10.202 25.292 ( 1.682 -0.000 8.431) 8.597 25.436 ( -0.389 0.000 -2.962) 2.988 25.764 ( 10.899 -0.000 2.924) 11.284 25.895 ( 10.026 0.000 -10.674) 14.644 26.699 ( -1.633 0.000 0.822) 1.829 26.875 ( -4.297 0.000 -2.831) 5.145 26.946 ( 0.627 0.000 -1.416) 1.548 27.194 ( -0.757 -0.000 2.308) 2.429 27.625 ( -0.606 -0.000 11.759) 11.774 27.880 ( -1.372 0.000 -12.963) 13.035 28.568 ( -0.414 0.000 -7.688) 7.699 28.803 ( -4.157 -0.000 7.593) 8.657 29.529 ( -7.085 0.000 -2.058) 7.378 29.910 ( -6.440 0.000 1.150) 6.542 29.981 ( -0.182 0.000 -3.336) 3.341 30.095 ( -3.608 0.000 -0.507) 3.644 30.768 ( 0.088 0.000 -1.253) 1.256 30.930 ( 5.253 -0.000 -3.957) 6.576 30.940 ( 0.260 -0.000 0.532) 0.592 31.102 ( 0.625 -0.000 6.108) 6.140 31.758 ( -2.914 0.000 2.806) 4.045 32.221 ( 1.222 -0.000 -1.096) 1.641 ======================= Grid point 107 (79/105) ======================= q-point: (-0.19 0.36 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( -25.463 0.000 -1.534) 25.509 3.878 ( 17.070 -0.000 -12.639) 21.240 4.728 ( -10.190 -0.000 13.145) 16.632 5.179 ( -2.418 0.000 2.452) 3.444 5.580 ( 4.762 -0.000 -3.308) 5.798 5.775 ( 11.560 -0.000 -0.897) 11.595 7.607 ( 12.257 -0.000 6.472) 13.860 7.654 ( 17.628 -0.000 -9.047) 19.814 8.029 ( 4.768 0.000 -6.226) 7.842 8.215 ( 3.251 -0.000 1.489) 3.576 8.818 ( 6.083 0.000 -6.809) 9.130 8.936 ( -35.990 0.000 16.561) 39.618 9.056 ( -1.457 0.000 -0.184) 1.468 9.455 ( 6.683 -0.000 4.922) 8.300 9.597 ( 2.682 -0.000 14.512) 14.758 10.828 ( 0.629 0.000 -22.688) 22.697 11.504 ( 8.500 -0.000 5.579) 10.168 11.705 ( -21.759 0.000 9.609) 23.786 12.170 ( 51.788 -0.000 1.915) 51.823 12.759 ( -4.011 0.000 -31.774) 32.026 12.894 ( -10.635 0.000 -4.636) 11.601 13.453 ( -4.296 0.000 -11.338) 12.125 13.507 ( 7.435 0.000 -9.619) 12.158 13.964 ( -5.682 -0.000 10.300) 11.763 14.525 ( 0.697 -0.000 24.081) 24.091 15.163 ( 3.121 -0.000 19.262) 19.513 15.985 ( -8.502 0.000 -11.088) 13.973 16.275 ( 8.610 0.000 -12.135) 14.879 16.412 ( -2.611 0.000 -14.485) 14.719 16.888 ( 2.022 -0.000 9.693) 9.901 16.897 ( -3.866 0.000 -5.693) 6.882 17.112 ( -12.252 0.000 7.270) 14.247 17.199 ( 2.035 0.000 -6.559) 6.867 17.322 ( 0.922 0.000 -3.660) 3.775 17.496 ( 2.157 0.000 -3.872) 4.433 17.969 ( -18.892 0.000 5.410) 19.651 18.129 ( 10.243 -0.000 7.297) 12.576 18.249 ( -35.698 0.000 3.265) 35.847 18.464 ( -17.138 0.000 -2.657) 17.342 18.547 ( -0.958 -0.000 5.430) 5.514 18.745 ( 5.714 0.000 -9.426) 11.023 18.749 ( -13.874 -0.000 17.913) 22.658 18.984 ( -19.676 0.000 -15.796) 25.232 19.232 ( 15.241 -0.000 5.458) 16.189 19.649 ( -13.589 0.000 4.952) 14.464 19.828 ( 10.684 -0.000 20.948) 23.515 20.117 ( -4.764 -0.000 5.466) 7.250 20.294 ( -4.213 0.000 -1.529) 4.482 20.540 ( 9.645 -0.000 4.826) 10.785 20.680 ( 6.418 0.000 -8.354) 10.534 21.009 ( 14.167 -0.000 6.450) 15.567 21.217 ( 23.161 -0.000 -14.083) 27.107 21.409 ( -0.806 0.000 -3.364) 3.459 21.530 ( -12.479 0.000 -0.178) 12.480 21.697 ( -2.960 0.000 1.540) 3.337 21.949 ( -3.038 -0.000 7.335) 7.939 22.163 ( -1.052 -0.000 3.591) 3.742 22.300 ( 6.593 0.000 -12.947) 14.529 22.320 ( 8.289 -0.000 0.677) 8.317 22.647 ( 1.450 0.000 -2.902) 3.244 22.892 ( -9.920 0.000 -3.966) 10.683 22.953 ( -9.748 0.000 -8.501) 12.934 23.300 ( -1.750 -0.000 5.718) 5.980 23.391 ( -1.676 0.000 -2.920) 3.366 23.401 ( 3.754 0.000 -4.443) 5.816 23.520 ( 23.121 -0.000 1.189) 23.152 23.660 ( 11.991 -0.000 4.879) 12.945 23.711 ( -1.254 -0.000 6.953) 7.065 24.008 ( 0.044 0.000 -1.096) 1.097 24.029 ( 8.034 -0.000 3.380) 8.716 24.437 ( 4.109 0.000 -5.312) 6.716 24.459 ( 5.732 0.000 -13.138) 14.334 24.780 ( -11.604 0.000 2.215) 11.813 25.118 ( -5.407 -0.000 8.824) 10.349 25.191 ( 3.781 -0.000 0.820) 3.869 25.312 ( 5.246 -0.000 -1.081) 5.357 25.418 ( 0.577 -0.000 7.808) 7.829 25.557 ( 1.976 -0.000 -0.947) 2.191 26.625 ( 0.642 0.000 -1.417) 1.555 26.744 ( 1.563 -0.000 2.287) 2.770 26.767 ( 0.593 -0.000 2.192) 2.271 26.934 ( 1.432 -0.000 4.849) 5.056 27.761 ( -6.395 0.000 -2.508) 6.869 28.383 ( 2.934 0.000 -9.166) 9.624 28.903 ( 0.697 0.000 -5.928) 5.968 29.333 ( -3.510 0.000 -6.469) 7.360 29.803 ( 0.510 -0.000 4.934) 4.961 29.949 ( 3.352 -0.000 3.398) 4.773 30.266 ( -4.042 0.000 3.199) 5.155 30.335 ( -6.028 0.000 -1.992) 6.349 30.420 ( 0.239 -0.000 8.069) 8.072 30.621 ( 5.939 -0.000 -2.377) 6.397 31.035 ( 0.585 0.000 -2.833) 2.893 31.102 ( -3.438 0.000 -0.822) 3.535 31.964 ( -4.603 0.000 -0.172) 4.606 32.095 ( 3.823 -0.000 0.093) 3.824 ======================= Grid point 108 (80/105) ======================= q-point: ( 0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 0.000 6.171 0.000) 6.171 2.937 ( 0.000 67.742 0.000) 67.742 3.009 ( 0.000 50.568 0.000) 50.568 3.808 ( 0.000 25.275 0.000) 25.275 5.017 ( 0.000 119.841 0.000) 119.841 5.037 ( -0.000 -0.333 -0.000) 0.333 5.206 ( -0.000 -4.134 -0.000) 4.134 6.111 ( 0.000 7.019 0.000) 7.019 6.201 ( -0.000 -6.227 -0.000) 6.227 7.872 ( 0.000 3.182 0.000) 3.182 7.935 ( 0.000 4.949 0.000) 4.949 8.318 ( 0.000 0.529 0.000) 0.529 10.110 ( 0.000 20.020 0.000) 20.020 10.161 ( -0.000 -14.630 -0.000) 14.630 10.354 ( -0.000 -9.809 -0.000) 9.809 10.766 ( 0.000 20.055 0.000) 20.055 11.573 ( -0.000 -28.398 -0.000) 28.398 11.942 ( 0.000 3.403 0.000) 3.403 12.173 ( 0.000 9.830 0.000) 9.830 12.315 ( -0.000 -43.494 -0.000) 43.494 12.651 ( -0.000 -8.375 -0.000) 8.375 12.738 ( -0.000 -25.280 -0.000) 25.280 14.276 ( -0.000 -0.047 -0.000) 0.047 14.405 ( -0.000 -6.072 -0.000) 6.072 15.002 ( 0.000 12.878 0.000) 12.878 15.311 ( 0.000 5.033 0.000) 5.033 15.521 ( -0.000 -12.571 -0.000) 12.571 15.985 ( -0.000 -11.830 -0.000) 11.830 16.441 ( 0.000 3.835 0.000) 3.835 16.979 ( 0.000 6.325 0.000) 6.325 17.056 ( 0.000 4.378 0.000) 4.378 17.222 ( 0.000 2.726 0.000) 2.726 17.269 ( -0.000 -3.412 -0.000) 3.412 17.553 ( 0.000 3.423 0.000) 3.423 17.691 ( -0.000 -12.419 -0.000) 12.419 17.741 ( -0.000 -8.293 -0.000) 8.293 17.832 ( 0.000 15.432 0.000) 15.432 18.028 ( 0.000 1.594 0.000) 1.594 18.180 ( 0.000 4.313 0.000) 4.313 18.251 ( -0.000 -8.758 -0.000) 8.758 18.436 ( 0.000 23.282 0.000) 23.282 18.628 ( -0.000 -1.937 -0.000) 1.937 18.888 ( 0.000 13.165 0.000) 13.165 19.190 ( -0.000 -2.929 -0.000) 2.929 19.872 ( -0.000 -28.177 -0.000) 28.177 19.893 ( 0.000 6.875 0.000) 6.875 20.154 ( -0.000 -15.132 -0.000) 15.132 20.780 ( 0.000 0.567 0.000) 0.567 20.858 ( 0.000 3.296 0.000) 3.296 21.014 ( 0.000 13.521 0.000) 13.521 21.227 ( -0.000 -3.161 -0.000) 3.161 21.433 ( 0.000 1.846 0.000) 1.846 21.443 ( 0.000 7.247 0.000) 7.247 21.684 ( 0.000 1.332 0.000) 1.332 21.829 ( -0.000 -23.860 -0.000) 23.860 21.836 ( -0.000 -15.761 -0.000) 15.761 21.981 ( -0.000 -1.179 -0.000) 1.179 21.986 ( -0.000 -0.894 -0.000) 0.894 22.389 ( -0.000 -1.311 -0.000) 1.311 22.512 ( -0.000 -3.820 -0.000) 3.820 22.545 ( -0.000 -2.775 -0.000) 2.775 22.598 ( -0.000 -0.733 -0.000) 0.733 23.078 ( -0.000 -7.921 -0.000) 7.921 23.260 ( 0.000 17.157 0.000) 17.157 23.623 ( 0.000 7.195 0.000) 7.195 23.802 ( -0.000 -17.774 -0.000) 17.774 23.916 ( 0.000 0.292 0.000) 0.292 24.032 ( 0.000 2.923 0.000) 2.923 24.115 ( -0.000 -4.259 -0.000) 4.259 24.500 ( 0.000 0.749 0.000) 0.749 24.601 ( 0.000 17.078 0.000) 17.078 25.045 ( 0.000 2.265 0.000) 2.265 25.168 ( 0.000 1.880 0.000) 1.880 25.220 ( -0.000 -5.958 -0.000) 5.958 25.284 ( 0.000 1.766 0.000) 1.766 25.455 ( 0.000 8.876 0.000) 8.876 25.909 ( 0.000 2.423 0.000) 2.423 26.362 ( 0.000 6.750 0.000) 6.750 26.646 ( 0.000 1.687 0.000) 1.687 26.672 ( 0.000 0.532 0.000) 0.532 26.934 ( 0.000 4.064 0.000) 4.064 27.017 ( -0.000 -2.336 -0.000) 2.336 27.442 ( -0.000 -5.745 -0.000) 5.745 28.206 ( 0.000 5.278 0.000) 5.278 28.306 ( 0.000 3.357 0.000) 3.357 29.086 ( -0.000 -3.189 -0.000) 3.189 29.596 ( 0.000 9.649 0.000) 9.649 29.750 ( -0.000 -5.614 -0.000) 5.614 29.931 ( 0.000 3.913 0.000) 3.913 30.063 ( 0.000 0.962 0.000) 0.962 30.396 ( -0.000 -2.816 -0.000) 2.816 30.889 ( 0.000 3.449 0.000) 3.449 30.905 ( -0.000 -0.782 -0.000) 0.782 31.388 ( -0.000 -2.585 -0.000) 2.585 31.730 ( -0.000 -3.704 -0.000) 3.704 32.252 ( 0.000 1.260 0.000) 1.260 ======================= Grid point 113 (81/105) ======================= q-point: ( 0.59 -0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -27.079 0.031 1.334) 27.112 3.789 ( -17.815 -4.110 -7.461) 19.747 4.819 ( 10.065 0.313 4.513) 11.035 5.043 ( -4.757 -2.107 -0.266) 5.210 5.638 ( -3.470 2.099 -2.679) 4.860 6.008 ( 2.216 12.629 0.940) 12.857 6.686 ( -25.345 13.502 24.359) 37.657 7.375 ( -21.675 38.298 16.972) 47.166 7.866 ( 0.546 0.731 3.642) 3.755 8.201 ( 1.416 2.828 2.270) 3.893 8.315 ( 1.234 0.347 -0.810) 1.517 8.938 ( -3.512 -20.323 -23.658) 31.386 9.242 ( -42.321 15.434 -20.711) 49.580 9.444 ( 10.776 -12.363 2.243) 16.553 10.012 ( 1.331 -13.071 9.888) 16.444 10.755 ( 9.814 2.509 12.049) 15.741 11.240 ( -3.916 -1.033 -15.589) 16.107 11.778 ( 2.290 -4.490 -17.611) 18.318 12.083 ( -9.790 11.714 9.581) 18.023 12.367 ( -3.024 9.130 -6.579) 11.653 12.841 ( -3.219 15.428 1.566) 15.838 13.236 ( -22.511 6.561 2.453) 23.575 13.465 ( 1.054 -9.449 -25.922) 27.611 13.721 ( 0.910 0.018 -12.231) 12.265 14.869 ( 7.152 -6.776 8.739) 13.169 15.353 ( 4.316 9.543 -0.423) 10.483 15.719 ( -7.401 5.857 -2.908) 9.875 15.774 ( -2.665 -2.187 -3.025) 4.586 16.477 ( 5.346 -4.531 -0.910) 7.067 16.714 ( 1.040 -3.269 -2.003) 3.972 17.063 ( -2.366 -9.183 6.460) 11.474 17.156 ( -0.559 -2.430 5.084) 5.662 17.447 ( 6.057 2.999 -6.182) 9.159 17.532 ( 1.897 -2.003 -3.482) 4.442 17.658 ( 4.667 -3.413 -4.181) 7.136 17.766 ( -6.495 -1.815 3.066) 7.409 17.866 ( -2.163 -6.507 5.901) 9.047 17.968 ( -4.663 -6.915 1.312) 8.443 18.359 ( 7.241 0.150 9.212) 11.718 18.397 ( -2.235 -19.319 0.157) 19.449 18.489 ( 1.528 -3.833 3.244) 5.249 18.814 ( -11.802 -1.747 12.135) 17.018 19.046 ( -3.466 -6.034 6.918) 9.812 19.300 ( -4.153 5.962 5.314) 9.001 19.512 ( -1.584 2.556 9.763) 10.216 19.614 ( 2.341 6.426 -13.133) 14.807 19.899 ( 14.523 -6.192 -5.589) 16.748 20.426 ( -5.867 -3.400 2.589) 7.258 20.594 ( 7.653 8.068 6.968) 13.123 20.952 ( 8.302 2.158 -3.311) 9.194 21.188 ( -0.354 5.699 2.432) 6.206 21.369 ( -4.839 -3.910 -2.844) 6.840 21.425 ( 3.111 -3.106 11.872) 12.659 21.627 ( 4.349 6.979 -3.679) 9.008 21.743 ( -8.186 -3.143 -5.508) 10.355 21.815 ( 3.945 2.079 7.349) 8.596 22.208 ( -3.335 5.170 2.304) 6.569 22.262 ( -1.436 2.911 -0.994) 3.395 22.405 ( -0.309 0.435 -3.020) 3.067 22.448 ( -2.804 -0.569 -0.184) 2.867 22.562 ( -5.298 -0.944 -0.512) 5.406 22.660 ( -3.575 3.597 1.221) 5.216 23.150 ( -9.830 -4.351 2.677) 11.079 23.396 ( 3.471 -0.153 -5.539) 6.539 23.577 ( 2.864 0.038 -3.952) 4.881 23.703 ( 0.378 -5.729 -1.604) 5.962 23.895 ( 1.524 -2.503 0.296) 2.945 24.006 ( 0.983 1.899 4.622) 5.093 24.220 ( -7.376 4.581 -0.110) 8.683 24.553 ( 5.180 2.147 -2.314) 6.066 24.747 ( 5.251 -1.634 -9.675) 11.129 24.810 ( 13.733 1.472 -0.193) 13.813 24.922 ( 20.334 0.614 -9.074) 22.275 25.012 ( 7.531 -1.938 3.508) 8.531 25.299 ( 9.932 -0.097 3.002) 10.377 25.420 ( 0.709 0.462 7.949) 7.994 25.607 ( 6.307 2.816 -4.363) 8.170 25.707 ( 15.103 4.240 0.750) 15.705 26.702 ( 0.713 -1.651 -1.800) 2.545 26.856 ( 3.416 -0.209 3.550) 4.931 26.895 ( 3.910 0.853 0.092) 4.003 27.020 ( 2.371 0.773 5.457) 6.000 27.509 ( -8.537 -3.662 -0.672) 9.313 28.357 ( 0.065 5.434 -8.003) 9.674 28.877 ( -10.461 1.460 -5.266) 11.803 28.932 ( -7.157 -2.354 -3.327) 8.236 29.705 ( -5.453 -2.621 1.732) 6.294 30.015 ( -2.614 4.532 0.757) 5.286 30.077 ( -2.124 0.574 -1.930) 2.927 30.150 ( -4.407 -1.019 -1.567) 4.787 30.426 ( -0.277 -1.193 11.055) 11.123 30.865 ( 7.419 3.407 -1.423) 8.287 30.930 ( -1.451 0.297 0.330) 1.518 31.153 ( 1.473 -3.696 -2.317) 4.605 31.767 ( -5.669 -0.984 0.957) 5.833 32.226 ( 2.791 0.476 -0.714) 2.920 ======================= Grid point 119 (82/105) ======================= q-point: ( 0.38 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 0.000 4.790 3.842) 6.140 3.335 ( 0.000 0.335 -3.006) 3.024 4.648 ( 0.000 42.804 40.584) 58.985 5.034 ( 0.000 4.482 2.748) 5.257 5.144 ( 0.000 4.178 1.316) 4.380 5.209 ( 0.000 55.145 31.495) 63.505 6.056 ( -0.000 -5.039 -4.486) 6.747 6.350 ( -0.000 5.869 19.422) 20.290 7.373 ( 0.000 72.340 14.034) 73.689 7.896 ( 0.000 6.420 1.161) 6.524 8.162 ( 0.000 5.910 7.289) 9.384 8.325 ( 0.000 0.924 -0.342) 0.985 9.354 ( 0.000 -21.095 -40.574) 45.730 9.847 ( 0.000 4.731 -27.739) 28.139 10.327 ( -0.000 -12.067 -4.343) 12.825 10.914 ( -0.000 -32.295 4.885) 32.662 11.310 ( -0.000 2.678 19.163) 19.349 11.700 ( -0.000 -21.724 4.498) 22.185 12.123 ( -0.000 -7.902 -6.594) 10.292 12.166 ( 0.000 16.072 2.130) 16.213 12.501 ( 0.000 -1.331 -6.908) 7.035 12.605 ( 0.000 7.252 11.222) 13.361 13.618 ( 0.000 -13.827 -52.674) 54.459 13.903 ( 0.000 4.624 -33.633) 33.949 14.936 ( 0.000 4.047 -10.993) 11.714 15.333 ( -0.000 -5.405 -2.442) 5.931 15.571 ( 0.000 14.721 8.021) 16.764 15.936 ( -0.000 -9.817 9.753) 13.838 16.791 ( -0.000 2.788 20.002) 20.196 16.895 ( -0.000 -7.921 -8.288) 11.464 17.038 ( 0.000 2.347 -1.432) 2.749 17.121 ( -0.000 -1.120 -0.008) 1.120 17.387 ( -0.000 -14.075 7.303) 15.857 17.587 ( -0.000 3.414 16.704) 17.050 17.616 ( -0.000 -3.012 5.201) 6.010 17.895 ( 0.000 7.321 7.986) 10.834 17.921 ( 0.000 -0.837 -7.371) 7.419 18.082 ( 0.000 2.987 1.340) 3.274 18.299 ( 0.000 3.673 0.710) 3.741 18.455 ( 0.000 -2.301 -8.732) 9.030 18.483 ( -0.000 1.770 24.556) 24.620 18.806 ( -0.000 2.637 4.925) 5.587 19.107 ( 0.000 10.747 -3.490) 11.300 19.131 ( -0.000 -36.292 -1.770) 36.335 19.166 ( -0.000 -0.345 1.433) 1.474 19.804 ( -0.000 -8.542 -12.292) 14.968 20.179 ( 0.000 13.722 4.024) 14.300 20.609 ( 0.000 -0.735 -34.773) 34.781 20.868 ( 0.000 4.592 -5.870) 7.452 20.935 ( -0.000 0.635 11.769) 11.786 21.082 ( 0.000 5.077 -13.605) 14.522 21.346 ( -0.000 -8.531 2.726) 8.956 21.474 ( -0.000 -15.061 -2.467) 15.262 21.735 ( 0.000 4.391 1.869) 4.772 21.779 ( -0.000 6.694 13.975) 15.496 21.813 ( 0.000 3.775 4.836) 6.134 22.077 ( -0.000 -6.971 13.116) 14.853 22.209 ( -0.000 -4.145 23.886) 24.243 22.366 ( -0.000 -3.620 -0.173) 3.624 22.501 ( 0.000 0.939 -7.657) 7.714 22.509 ( -0.000 -2.644 4.287) 5.037 22.617 ( -0.000 2.981 7.562) 8.128 22.906 ( -0.000 -10.589 2.145) 10.804 23.520 ( -0.000 -9.350 0.253) 9.353 23.522 ( 0.000 11.712 -5.796) 13.067 23.798 ( 0.000 5.952 3.846) 7.086 23.826 ( -0.000 -4.571 -7.599) 8.868 24.005 ( -0.000 -2.906 1.692) 3.362 24.068 ( 0.000 2.623 -1.517) 3.031 24.545 ( -0.000 1.291 2.373) 2.702 24.867 ( 0.000 10.166 -1.937) 10.349 24.869 ( 0.000 0.174 -11.437) 11.438 25.086 ( -0.000 -3.298 -3.395) 4.733 25.274 ( 0.000 1.051 -2.865) 3.051 25.393 ( -0.000 1.223 10.611) 10.681 25.593 ( 0.000 6.044 -2.405) 6.505 25.899 ( 0.000 1.667 -6.038) 6.264 26.412 ( 0.000 6.225 -7.543) 9.780 26.636 ( 0.000 2.326 -1.899) 3.003 26.768 ( -0.000 1.691 3.799) 4.158 26.935 ( 0.000 0.178 -0.703) 0.725 27.079 ( -0.000 -0.687 4.886) 4.934 27.356 ( -0.000 -5.355 3.230) 6.254 28.237 ( 0.000 5.529 -7.386) 9.226 28.412 ( 0.000 3.499 3.286) 4.800 28.965 ( -0.000 -3.932 -4.576) 6.033 29.629 ( -0.000 -4.326 -1.102) 4.464 29.788 ( 0.000 7.489 -0.760) 7.528 30.008 ( 0.000 3.054 0.091) 3.055 30.039 ( 0.000 0.861 -1.884) 2.072 30.457 ( -0.000 -2.180 9.750) 9.991 30.902 ( -0.000 -0.301 0.862) 0.913 30.962 ( 0.000 3.682 -0.118) 3.684 31.290 ( -0.000 -3.482 -3.541) 4.966 31.669 ( -0.000 -3.373 1.312) 3.619 32.266 ( 0.000 1.012 -0.845) 1.318 ======================= Grid point 120 (83/105) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.589 ( 26.317 -0.000 0.000) 26.317 3.884 ( -24.537 0.000 -0.000) 24.537 4.766 ( -7.099 0.000 -0.000) 7.099 5.094 ( 10.130 -0.000 0.000) 10.130 5.501 ( 6.528 -0.000 0.000) 6.528 5.553 ( 12.676 -0.000 0.000) 12.676 6.803 ( 56.532 -0.000 0.000) 56.532 7.049 ( 38.481 -0.000 0.000) 38.481 8.027 ( 4.677 -0.000 0.000) 4.677 8.273 ( -3.226 0.000 -0.000) 3.226 8.504 ( 29.133 -0.000 0.000) 29.133 9.307 ( -21.575 0.000 -0.000) 21.575 9.397 ( -13.669 0.000 -0.000) 13.669 9.410 ( 6.971 -0.000 0.000) 6.971 9.699 ( -38.716 0.000 -0.000) 38.716 10.630 ( 74.427 -0.000 0.000) 74.427 11.168 ( -1.427 0.000 -0.000) 1.427 11.190 ( 12.354 -0.000 0.000) 12.354 11.905 ( -8.363 0.000 -0.000) 8.363 13.079 ( -1.141 0.000 -0.000) 1.141 13.198 ( -4.764 0.000 -0.000) 4.764 13.646 ( -2.411 0.000 -0.000) 2.411 13.803 ( -2.449 0.000 -0.000) 2.449 13.870 ( -4.548 0.000 -0.000) 4.548 14.199 ( -3.158 0.000 -0.000) 3.158 14.861 ( -2.936 0.000 -0.000) 2.936 16.237 ( 3.362 -0.000 0.000) 3.362 16.312 ( 20.998 -0.000 0.000) 20.998 16.370 ( -5.300 0.000 -0.000) 5.300 16.684 ( 3.246 -0.000 0.000) 3.246 17.055 ( -1.816 0.000 -0.000) 1.816 17.240 ( -7.417 0.000 -0.000) 7.417 17.407 ( -3.834 0.000 -0.000) 3.834 17.584 ( -17.595 0.000 -0.000) 17.595 17.664 ( 12.226 -0.000 0.000) 12.226 17.673 ( -8.917 0.000 -0.000) 8.917 18.355 ( 5.800 -0.000 0.000) 5.800 18.427 ( -0.791 0.000 -0.000) 0.791 18.573 ( -25.056 0.000 -0.000) 25.056 18.780 ( 15.143 -0.000 0.000) 15.143 18.787 ( -2.330 0.000 -0.000) 2.330 18.788 ( -8.149 0.000 -0.000) 8.149 19.014 ( -34.638 0.000 -0.000) 34.638 19.319 ( 14.518 -0.000 0.000) 14.518 19.649 ( -8.904 0.000 -0.000) 8.904 20.102 ( -19.898 0.000 -0.000) 19.898 20.106 ( -5.104 0.000 -0.000) 5.104 20.304 ( 0.688 -0.000 0.000) 0.688 20.533 ( -10.318 0.000 -0.000) 10.318 20.552 ( 7.609 -0.000 0.000) 7.609 20.681 ( 5.151 -0.000 0.000) 5.151 20.921 ( 28.598 -0.000 0.000) 28.598 21.488 ( -1.582 0.000 -0.000) 1.582 21.670 ( 11.681 -0.000 0.000) 11.681 21.773 ( -8.249 0.000 -0.000) 8.249 21.891 ( -13.448 0.000 -0.000) 13.448 22.083 ( 10.639 -0.000 0.000) 10.639 22.093 ( 1.673 -0.000 0.000) 1.673 22.386 ( 1.326 -0.000 0.000) 1.326 22.562 ( 7.775 -0.000 0.000) 7.775 22.914 ( 11.718 -0.000 0.000) 11.718 22.917 ( 16.107 -0.000 0.000) 16.107 23.303 ( 4.058 -0.000 0.000) 4.058 23.362 ( -3.098 0.000 -0.000) 3.098 23.368 ( 4.430 -0.000 0.000) 4.430 23.406 ( -23.510 0.000 -0.000) 23.510 23.712 ( -7.160 0.000 -0.000) 7.160 23.806 ( -11.861 0.000 -0.000) 11.861 23.867 ( 2.814 -0.000 0.000) 2.814 24.041 ( -1.473 0.000 -0.000) 1.473 24.425 ( 1.552 -0.000 0.000) 1.552 24.475 ( 7.140 -0.000 0.000) 7.140 24.970 ( -8.923 0.000 -0.000) 8.923 25.104 ( 4.615 -0.000 0.000) 4.615 25.133 ( -4.479 0.000 -0.000) 4.479 25.316 ( -0.616 0.000 -0.000) 0.616 25.316 ( -3.508 0.000 -0.000) 3.508 25.472 ( 6.143 -0.000 0.000) 6.143 26.643 ( -1.205 0.000 -0.000) 1.205 26.721 ( -2.304 0.000 -0.000) 2.304 26.755 ( -1.431 0.000 -0.000) 1.431 26.875 ( -0.228 0.000 -0.000) 0.228 27.910 ( -5.537 0.000 -0.000) 5.537 28.396 ( 6.567 -0.000 0.000) 6.567 28.910 ( 6.261 -0.000 0.000) 6.261 29.409 ( 2.985 -0.000 0.000) 2.985 29.710 ( 3.294 -0.000 0.000) 3.294 29.851 ( 1.692 -0.000 0.000) 1.692 30.289 ( -3.233 0.000 -0.000) 3.233 30.340 ( 0.188 -0.000 0.000) 0.188 30.468 ( -5.936 0.000 -0.000) 5.936 30.554 ( 3.917 -0.000 0.000) 3.917 30.994 ( 4.093 -0.000 0.000) 4.093 31.229 ( -5.927 0.000 -0.000) 5.927 32.012 ( 4.209 -0.000 0.000) 4.209 32.056 ( -4.263 0.000 -0.000) 4.263 ======================= Grid point 121 (84/105) ======================= q-point: (-0.22 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -25.133 0.000 0.453) 25.137 3.636 ( -14.626 0.000 -2.839) 14.899 4.901 ( 6.687 -0.000 2.764) 7.236 5.043 ( -3.997 0.000 2.156) 4.541 5.561 ( -0.120 0.000 -5.120) 5.122 6.078 ( 5.127 0.000 -5.351) 7.411 7.185 ( -6.590 0.000 -7.555) 10.025 7.501 ( -5.889 0.000 -25.276) 25.953 8.117 ( -6.464 0.000 -20.226) 21.234 8.187 ( -4.431 -0.000 8.484) 9.571 8.317 ( 2.009 -0.000 -0.393) 2.047 8.550 ( -15.031 0.000 11.561) 18.963 9.145 ( -46.438 0.000 20.278) 50.673 9.337 ( 7.858 -0.000 4.496) 9.053 10.021 ( -0.776 -0.000 4.395) 4.463 10.736 ( 7.545 0.000 -21.618) 22.897 11.214 ( -4.126 -0.000 13.316) 13.941 11.235 ( -10.676 0.000 -21.704) 24.188 12.193 ( -9.748 0.000 -11.621) 15.168 12.462 ( -17.463 0.000 -14.207) 22.512 12.733 ( 31.539 -0.000 -19.262) 36.956 13.061 ( -19.066 0.000 -2.347) 19.210 13.118 ( -10.136 0.000 9.146) 13.652 13.922 ( -3.221 -0.000 7.702) 8.348 14.921 ( -4.005 0.000 3.520) 5.332 15.273 ( -14.639 0.000 -9.822) 17.629 15.658 ( 3.439 -0.000 -2.549) 4.280 15.931 ( 10.297 -0.000 6.694) 12.282 16.352 ( 5.794 -0.000 0.577) 5.823 16.779 ( 7.955 -0.000 2.003) 8.204 17.069 ( -4.820 -0.000 6.479) 8.075 17.246 ( 7.381 -0.000 -6.367) 9.748 17.250 ( 2.066 0.000 -3.375) 3.958 17.514 ( -1.410 0.000 -1.888) 2.357 17.531 ( 13.022 -0.000 6.740) 14.663 17.699 ( -2.918 0.000 -1.182) 3.148 17.701 ( 2.169 -0.000 -1.221) 2.489 18.177 ( -5.566 -0.000 16.274) 17.200 18.341 ( -6.265 0.000 -1.144) 6.369 18.531 ( -7.363 -0.000 11.135) 13.349 18.798 ( 1.994 0.000 -6.797) 7.083 18.802 ( 8.418 -0.000 20.297) 21.973 19.200 ( 2.759 -0.000 11.579) 11.903 19.258 ( -6.165 0.000 -18.316) 19.326 19.518 ( -12.463 0.000 7.308) 14.448 19.870 ( -1.532 -0.000 9.147) 9.274 19.902 ( -11.737 -0.000 13.037) 17.542 20.293 ( 1.647 0.000 -22.841) 22.900 20.423 ( -0.617 -0.000 1.445) 1.572 21.105 ( -2.273 0.000 -13.337) 13.529 21.155 ( -5.981 0.000 -2.054) 6.324 21.421 ( 7.660 -0.000 14.949) 16.797 21.577 ( -0.238 -0.000 8.677) 8.680 21.745 ( 4.534 -0.000 5.460) 7.097 21.903 ( 10.421 -0.000 4.630) 11.403 21.920 ( 4.156 -0.000 15.183) 15.742 22.146 ( 9.713 -0.000 -6.040) 11.437 22.295 ( -2.000 0.000 -7.731) 7.986 22.366 ( 1.861 -0.000 -0.505) 1.928 22.493 ( -7.646 0.000 4.709) 8.980 22.593 ( 6.917 0.000 -9.966) 12.131 22.619 ( -4.370 -0.000 8.032) 9.144 23.151 ( -4.763 0.000 -0.626) 4.803 23.255 ( 0.948 0.000 -2.678) 2.841 23.413 ( 6.202 0.000 -9.319) 11.194 23.700 ( -5.516 0.000 3.113) 6.333 23.871 ( 0.478 -0.000 0.916) 1.033 24.134 ( 2.428 -0.000 0.785) 2.551 24.257 ( -7.748 0.000 0.945) 7.805 24.397 ( 4.612 0.000 -13.987) 14.728 24.552 ( 9.662 -0.000 -1.878) 9.843 24.691 ( 18.210 -0.000 -11.347) 21.456 24.859 ( 13.982 -0.000 1.735) 14.089 25.172 ( -2.219 -0.000 8.989) 9.259 25.299 ( 7.166 -0.000 -3.021) 7.776 25.510 ( 1.935 0.000 -5.705) 6.025 25.563 ( 1.220 -0.000 4.822) 4.974 25.746 ( 15.237 -0.000 -0.871) 15.262 26.670 ( 1.716 -0.000 0.580) 1.812 26.919 ( 2.366 -0.000 1.325) 2.712 26.921 ( 3.181 -0.000 1.694) 3.604 27.127 ( 1.328 -0.000 3.943) 4.161 27.503 ( -5.768 0.000 4.170) 7.117 28.181 ( -0.564 0.000 -13.346) 13.358 28.731 ( -0.892 0.000 -7.085) 7.141 28.877 ( -11.598 0.000 -0.915) 11.634 29.712 ( -8.454 0.000 0.812) 8.493 30.049 ( -8.457 0.000 0.415) 8.467 30.054 ( -0.531 0.000 -2.724) 2.775 30.135 ( -2.129 0.000 1.128) 2.409 30.659 ( 0.166 -0.000 10.675) 10.676 30.860 ( 8.688 -0.000 -2.904) 9.161 30.923 ( -0.112 0.000 -0.518) 0.530 31.068 ( -0.075 0.000 -1.724) 1.725 31.787 ( -5.058 0.000 1.826) 5.377 32.211 ( 2.497 -0.000 -1.119) 2.736 ======================= Grid point 126 (85/105) ======================= q-point: ( 0.57 -0.57 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( -28.532 -1.341 -0.000) 28.563 4.278 ( -19.768 -7.243 -0.000) 21.053 4.452 ( 19.002 1.547 0.000) 19.065 5.126 ( -3.066 -2.044 -0.000) 3.684 5.719 ( 4.168 -1.627 0.000) 4.474 5.895 ( 7.023 9.867 0.000) 12.111 7.277 ( -52.464 15.564 -0.000) 54.724 7.561 ( -18.651 39.797 0.000) 43.950 7.754 ( 6.707 -2.029 0.000) 7.007 8.170 ( -1.838 0.479 -0.000) 1.899 8.267 ( 6.996 2.702 0.000) 7.500 9.067 ( 3.992 -23.446 -0.000) 23.783 9.365 ( -3.456 -18.155 -0.000) 18.481 9.729 ( 6.911 -4.175 -0.000) 8.074 9.959 ( 33.371 -10.995 0.000) 35.135 10.649 ( -49.517 21.383 0.000) 53.936 11.389 ( 19.622 15.593 0.000) 25.063 11.702 ( 8.282 -15.047 -0.000) 17.175 12.404 ( -5.281 23.509 0.000) 24.095 12.573 ( -17.701 -4.781 -0.000) 18.335 12.925 ( -6.225 33.631 0.000) 34.203 13.385 ( 4.371 -8.127 -0.000) 9.228 13.619 ( -1.564 0.650 -0.000) 1.693 13.868 ( -3.226 -10.823 -0.000) 11.293 14.593 ( 9.834 -12.642 -0.000) 16.017 15.058 ( 13.390 11.605 0.000) 17.719 15.927 ( -5.147 2.043 -0.000) 5.538 16.118 ( -19.005 10.235 0.000) 21.586 16.522 ( -3.510 0.638 -0.000) 3.568 16.886 ( -4.976 -11.297 -0.000) 12.344 16.916 ( 8.464 -2.187 0.000) 8.742 17.106 ( -1.808 -7.574 -0.000) 7.787 17.405 ( 8.879 3.636 0.000) 9.595 17.548 ( 1.987 -7.103 -0.000) 7.376 17.615 ( 1.700 -6.262 -0.000) 6.488 17.683 ( -7.550 -6.608 -0.000) 10.034 17.777 ( -5.270 -4.377 -0.000) 6.851 18.184 ( -8.761 -3.766 -0.000) 9.536 18.360 ( 4.190 -12.807 -0.000) 13.475 18.454 ( 6.028 -1.135 0.000) 6.134 18.497 ( -7.995 -14.097 -0.000) 16.206 18.833 ( -31.891 -7.136 -0.000) 32.679 19.131 ( -0.543 3.798 0.000) 3.837 19.167 ( 6.251 -1.053 0.000) 6.339 19.361 ( -5.681 -2.295 -0.000) 6.127 19.818 ( -9.518 1.191 -0.000) 9.593 19.898 ( 17.737 1.141 0.000) 17.774 20.038 ( -1.732 12.507 0.000) 12.627 20.548 ( -2.486 -1.416 -0.000) 2.862 20.985 ( 14.040 4.912 0.000) 14.874 21.059 ( -2.437 11.629 0.000) 11.882 21.161 ( 11.285 3.830 0.000) 11.917 21.480 ( -1.236 -4.117 -0.000) 4.298 21.610 ( 3.998 2.121 0.000) 4.526 21.772 ( -3.614 -2.954 -0.000) 4.668 21.792 ( 1.010 -0.328 0.000) 1.062 22.239 ( 3.537 -0.070 0.000) 3.537 22.389 ( -8.173 3.533 0.000) 8.904 22.466 ( 3.980 -0.723 0.000) 4.046 22.539 ( -7.201 3.763 0.000) 8.125 22.755 ( -7.346 4.573 0.000) 8.654 22.789 ( -14.470 0.924 -0.000) 14.499 23.302 ( -6.489 -1.698 -0.000) 6.708 23.391 ( 5.183 -1.047 0.000) 5.288 23.577 ( 0.735 -2.637 -0.000) 2.738 23.623 ( 8.841 5.031 0.000) 10.172 23.815 ( 3.977 -9.078 -0.000) 9.911 23.903 ( 6.685 -2.423 0.000) 7.110 24.228 ( 20.611 3.192 0.000) 20.856 24.359 ( 23.199 2.687 0.000) 23.354 24.451 ( -0.558 1.820 0.000) 1.904 24.650 ( 10.211 -1.020 0.000) 10.262 24.802 ( 7.086 -4.655 -0.000) 8.478 24.849 ( -6.401 2.022 -0.000) 6.713 25.255 ( 0.625 2.414 0.000) 2.494 25.265 ( 2.426 -0.092 0.000) 2.428 25.426 ( 5.367 1.869 0.000) 5.683 25.629 ( 3.537 2.292 0.000) 4.215 26.711 ( 4.087 -1.209 0.000) 4.262 26.751 ( -0.242 -1.556 -0.000) 1.575 26.805 ( 5.686 0.840 0.000) 5.748 26.893 ( 2.173 0.900 0.000) 2.351 27.689 ( -8.168 -4.138 -0.000) 9.156 28.435 ( 1.084 6.988 0.000) 7.072 29.017 ( -2.794 -5.552 -0.000) 6.216 29.231 ( -11.896 3.812 -0.000) 12.492 29.747 ( -2.013 -2.201 -0.000) 2.983 29.970 ( 3.215 3.099 0.000) 4.466 30.185 ( -3.356 -0.320 -0.000) 3.372 30.264 ( -5.099 -1.343 -0.000) 5.273 30.297 ( -1.417 -0.954 -0.000) 1.708 30.738 ( 7.094 2.946 0.000) 7.681 30.992 ( -4.644 0.910 -0.000) 4.732 31.142 ( 2.319 -2.830 -0.000) 3.659 31.868 ( -5.647 -0.592 -0.000) 5.678 32.168 ( 3.834 0.386 0.000) 3.854 ======================= Grid point 127 (86/105) ======================= q-point: (-0.43 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 0.000 1.672 1.568) 2.292 3.240 ( 0.000 -0.915 -3.311) 3.435 5.010 ( -0.000 -2.478 1.903) 3.124 5.074 ( -0.000 0.001 1.443) 1.443 5.721 ( 0.000 -6.985 -15.826) 17.299 5.972 ( 0.000 23.886 -0.543) 23.892 6.880 ( 0.000 38.389 18.625) 42.669 7.353 ( -0.000 1.112 40.716) 40.732 7.487 ( 0.000 6.631 -23.425) 24.345 7.918 ( 0.000 -20.462 -41.408) 46.188 8.172 ( -0.000 -6.644 5.490) 8.619 8.387 ( 0.000 2.418 3.485) 4.242 8.394 ( 0.000 5.575 5.096) 7.553 9.602 ( -0.000 -17.993 -1.978) 18.101 10.280 ( 0.000 29.896 -12.493) 32.402 10.422 ( -0.000 -29.247 9.011) 30.604 11.329 ( 0.000 -4.846 -52.440) 52.663 11.416 ( -0.000 -9.399 -6.797) 11.599 11.808 ( -0.000 1.357 24.475) 24.513 12.283 ( 0.000 0.191 -11.284) 11.286 12.444 ( 0.000 5.909 -4.859) 7.650 12.598 ( -0.000 -1.729 15.684) 15.779 13.373 ( 0.000 13.596 -28.465) 31.545 13.521 ( 0.000 25.693 12.511) 28.577 14.856 ( 0.000 2.094 -6.109) 6.458 15.041 ( -0.000 -7.216 -8.969) 11.511 15.862 ( -0.000 -11.044 5.518) 12.346 16.069 ( 0.000 16.415 3.929) 16.879 16.696 ( -0.000 -3.862 0.021) 3.862 17.035 ( -0.000 -10.627 8.937) 13.886 17.101 ( 0.000 1.349 -1.356) 1.913 17.112 ( 0.000 6.348 2.076) 6.679 17.368 ( -0.000 -5.296 6.059) 8.047 17.528 ( 0.000 -1.790 -4.184) 4.551 17.849 ( -0.000 -12.790 -4.990) 13.729 18.029 ( 0.000 7.251 5.033) 8.827 18.048 ( -0.000 -7.615 10.248) 12.768 18.130 ( -0.000 1.882 5.890) 6.184 18.320 ( -0.000 -0.336 11.003) 11.008 18.419 ( -0.000 -17.985 0.136) 17.986 18.421 ( -0.000 -1.900 7.038) 7.290 18.965 ( 0.000 2.492 -0.967) 2.673 19.051 ( -0.000 -1.104 16.169) 16.206 19.147 ( 0.000 4.555 -8.096) 9.289 19.181 ( 0.000 0.794 -0.537) 0.959 19.442 ( -0.000 -1.024 1.361) 1.703 19.886 ( 0.000 0.388 -35.150) 35.152 20.058 ( -0.000 -11.720 -8.277) 14.348 20.908 ( 0.000 5.403 -17.056) 17.891 21.038 ( -0.000 -7.269 3.709) 8.161 21.212 ( 0.000 9.670 7.260) 12.092 21.401 ( 0.000 13.490 7.620) 15.494 21.447 ( -0.000 -2.703 19.495) 19.681 21.829 ( 0.000 1.008 -6.648) 6.724 21.900 ( 0.000 4.724 4.507) 6.529 22.089 ( 0.000 1.884 1.751) 2.572 22.229 ( -0.000 -7.368 15.252) 16.938 22.338 ( 0.000 2.414 -5.798) 6.280 22.363 ( -0.000 -1.942 5.439) 5.776 22.561 ( -0.000 -2.732 7.568) 8.046 22.668 ( -0.000 -0.454 17.253) 17.259 22.820 ( -0.000 -5.964 7.059) 9.241 22.901 ( 0.000 9.460 7.532) 12.092 23.413 ( 0.000 -3.846 -9.642) 10.380 23.436 ( -0.000 -3.620 3.504) 5.038 23.579 ( 0.000 -2.757 -8.762) 9.186 23.917 ( -0.000 -4.510 -0.785) 4.578 23.990 ( 0.000 3.438 4.752) 5.866 24.141 ( 0.000 4.255 -1.926) 4.671 24.501 ( 0.000 3.530 -16.645) 17.015 24.792 ( 0.000 -0.454 -11.881) 11.890 24.792 ( -0.000 -2.743 11.610) 11.930 25.067 ( 0.000 2.496 0.331) 2.518 25.238 ( 0.000 0.647 -1.438) 1.577 25.506 ( 0.000 -0.340 -4.483) 4.496 25.562 ( 0.000 0.206 -6.061) 6.065 25.810 ( 0.000 0.903 0.009) 0.903 26.287 ( 0.000 2.831 -13.060) 13.363 26.658 ( 0.000 2.419 -0.973) 2.607 26.843 ( -0.000 0.271 0.840) 0.883 26.949 ( 0.000 1.014 0.195) 1.033 27.136 ( -0.000 -1.437 3.267) 3.569 27.408 ( -0.000 -2.665 9.712) 10.071 28.115 ( 0.000 3.250 -12.587) 13.000 28.566 ( -0.000 2.929 5.354) 6.103 28.773 ( 0.000 -3.409 -6.368) 7.223 29.525 ( -0.000 -3.419 -1.331) 3.669 29.837 ( 0.000 2.174 -1.994) 2.950 30.029 ( 0.000 0.710 -1.668) 1.812 30.063 ( 0.000 2.562 -0.727) 2.664 30.657 ( -0.000 -0.665 10.679) 10.700 30.924 ( -0.000 0.208 1.091) 1.110 31.013 ( 0.000 2.787 -1.088) 2.992 31.132 ( -0.000 -3.089 -4.536) 5.488 31.668 ( -0.000 -1.335 3.071) 3.348 32.257 ( 0.000 0.443 -1.361) 1.431 ======================= Grid point 132 (87/105) ======================= q-point: ( 0.36 -0.36 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -23.766 1.487 -0.000) 23.812 3.579 ( -20.142 -2.858 -0.000) 20.344 4.444 ( -33.591 44.006 0.000) 55.361 4.953 ( 7.781 0.091 0.000) 7.782 5.154 ( -1.445 0.039 -0.000) 1.445 5.201 ( -32.187 53.955 0.000) 62.827 6.113 ( -1.964 2.190 0.000) 2.941 6.220 ( -0.179 4.312 0.000) 4.316 7.438 ( -30.771 89.401 0.000) 94.548 7.912 ( 1.539 2.289 0.000) 2.758 8.066 ( -0.526 6.833 0.000) 6.853 8.331 ( -0.250 0.007 -0.000) 0.250 9.821 ( 3.158 -16.567 -0.000) 16.865 9.988 ( 13.021 -14.737 -0.000) 19.666 10.320 ( 10.734 -1.262 0.000) 10.808 11.059 ( -13.041 -17.495 -0.000) 21.820 11.238 ( -15.414 -4.665 -0.000) 16.105 11.324 ( 13.387 -8.774 -0.000) 16.006 12.247 ( 0.827 -23.433 -0.000) 23.448 12.375 ( 6.266 25.123 0.000) 25.893 12.475 ( -28.417 6.849 -0.000) 29.230 12.592 ( -1.964 -4.185 -0.000) 4.623 14.156 ( 14.043 1.623 0.000) 14.136 14.162 ( 9.865 -8.106 -0.000) 12.768 15.122 ( 10.708 -8.484 -0.000) 13.662 15.205 ( 7.881 16.055 0.000) 17.885 15.535 ( -11.612 -1.339 -0.000) 11.689 15.801 ( -2.834 -7.150 -0.000) 7.691 16.491 ( 0.903 1.069 0.000) 1.400 17.024 ( -0.109 -17.590 -0.000) 17.590 17.027 ( 4.575 4.785 0.000) 6.620 17.223 ( -4.679 2.054 0.000) 5.110 17.316 ( -1.028 -12.502 -0.000) 12.544 17.442 ( -13.883 3.802 -0.000) 14.394 17.578 ( -4.152 -2.575 -0.000) 4.886 17.893 ( 4.055 4.854 0.000) 6.325 17.965 ( 9.526 -6.714 -0.000) 11.654 18.121 ( -7.156 8.265 0.000) 10.932 18.167 ( -10.484 6.397 0.000) 12.282 18.338 ( -5.957 -5.837 -0.000) 8.339 18.546 ( 2.902 -4.082 -0.000) 5.008 18.782 ( -2.425 8.121 0.000) 8.475 19.032 ( 6.687 -5.657 -0.000) 8.758 19.205 ( -6.606 0.980 -0.000) 6.679 19.228 ( -5.526 -25.251 -0.000) 25.848 20.053 ( 7.793 13.319 0.000) 15.431 20.168 ( -17.625 -3.691 -0.000) 18.007 20.547 ( 32.733 -3.273 0.000) 32.896 20.779 ( 24.516 -7.919 0.000) 25.764 20.881 ( -6.037 1.332 -0.000) 6.182 21.240 ( 4.933 8.359 0.000) 9.706 21.368 ( 8.900 -0.713 0.000) 8.929 21.495 ( 0.438 -7.529 -0.000) 7.541 21.548 ( -0.215 10.316 0.000) 10.319 21.674 ( -10.168 -10.119 -0.000) 14.345 21.839 ( -12.659 -0.937 -0.000) 12.693 21.895 ( 5.062 1.184 0.000) 5.198 22.145 ( -14.976 -4.021 -0.000) 15.506 22.387 ( 5.625 8.073 0.000) 9.839 22.414 ( -2.107 -5.310 -0.000) 5.713 22.471 ( 1.183 -2.256 -0.000) 2.547 22.604 ( -0.664 -0.045 -0.000) 0.666 23.021 ( -11.058 -8.136 -0.000) 13.728 23.498 ( 1.868 -7.350 -0.000) 7.584 23.573 ( 1.500 13.888 0.000) 13.969 23.822 ( -6.343 6.224 0.000) 8.886 23.886 ( 3.001 -3.666 -0.000) 4.738 23.994 ( 0.002 -6.484 -0.000) 6.484 24.081 ( -0.415 1.989 0.000) 2.032 24.532 ( -2.036 0.529 -0.000) 2.104 24.825 ( 5.744 11.062 0.000) 12.464 25.037 ( 6.163 -3.177 -0.000) 6.933 25.132 ( -3.638 1.929 0.000) 4.118 25.209 ( 6.140 -0.582 0.000) 6.167 25.263 ( -1.320 -0.762 -0.000) 1.524 25.614 ( 0.839 7.207 0.000) 7.256 25.711 ( 23.658 2.316 0.000) 23.772 26.079 ( 30.714 5.461 0.000) 31.196 26.716 ( -2.250 0.589 -0.000) 2.326 26.831 ( -5.047 2.873 0.000) 5.808 26.946 ( 2.098 -2.612 -0.000) 3.350 26.971 ( 3.167 2.588 0.000) 4.090 27.440 ( -9.569 -6.270 -0.000) 11.440 28.319 ( 0.222 6.471 0.000) 6.475 28.525 ( -14.390 4.670 -0.000) 15.129 29.024 ( -1.095 -4.246 -0.000) 4.385 29.686 ( -3.932 -5.334 -0.000) 6.626 29.819 ( -2.265 9.802 0.000) 10.060 30.023 ( -2.107 2.968 0.000) 3.640 30.122 ( -4.309 -0.797 -0.000) 4.382 30.332 ( 0.249 -3.270 -0.000) 3.280 30.896 ( -0.459 -0.213 -0.000) 0.506 30.920 ( 4.448 4.037 0.000) 6.007 31.305 ( 1.962 -4.173 -0.000) 4.611 31.696 ( -3.911 -3.022 -0.000) 4.943 32.261 ( 1.509 1.037 0.000) 1.831 ======================= Grid point 135 (88/105) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 0.000 0.000 -5.055) 5.055 3.204 ( -0.000 -0.000 0.474) 0.474 4.872 ( 0.000 0.000 -41.016) 41.016 5.087 ( 0.000 0.000 -0.956) 0.956 5.118 ( 0.000 0.000 -12.179) 12.179 5.951 ( 0.000 0.000 -79.867) 79.867 6.017 ( 0.000 0.000 -18.712) 18.712 6.513 ( 0.000 0.000 -27.076) 27.076 7.462 ( 0.000 0.000 -23.442) 23.442 8.099 ( -0.000 -0.000 15.180) 15.180 8.233 ( 0.000 0.000 -32.750) 32.750 8.822 ( -0.000 -0.000 34.995) 34.995 9.108 ( 0.000 0.000 -7.897) 7.897 9.429 ( -0.000 -0.000 60.728) 60.728 9.655 ( 0.000 0.000 -28.242) 28.242 10.259 ( -0.000 -0.000 5.603) 5.603 10.985 ( 0.000 0.000 -5.641) 5.641 11.492 ( -0.000 -0.000 25.377) 25.377 12.062 ( 0.000 0.000 -7.397) 7.397 12.214 ( 0.000 0.000 -15.456) 15.456 12.405 ( -0.000 -0.000 30.770) 30.770 13.192 ( -0.000 -0.000 25.216) 25.216 13.208 ( 0.000 0.000 -8.230) 8.230 13.997 ( -0.000 -0.000 2.644) 2.644 14.654 ( 0.000 0.000 -5.353) 5.353 14.938 ( 0.000 0.000 -0.600) 0.600 15.834 ( -0.000 -0.000 3.208) 3.208 16.224 ( 0.000 0.000 -2.967) 2.967 16.643 ( 0.000 0.000 -2.561) 2.561 17.065 ( -0.000 -0.000 3.856) 3.856 17.089 ( 0.000 0.000 -8.870) 8.870 17.137 ( -0.000 -0.000 0.721) 0.721 17.412 ( -0.000 -0.000 3.053) 3.053 17.521 ( -0.000 -0.000 3.454) 3.454 17.536 ( 0.000 0.000 -5.137) 5.137 17.930 ( -0.000 -0.000 2.850) 2.850 18.013 ( -0.000 -0.000 2.288) 2.288 18.244 ( 0.000 0.000 -8.431) 8.431 18.487 ( 0.000 0.000 -23.613) 23.613 18.548 ( -0.000 -0.000 13.283) 13.283 18.608 ( 0.000 0.000 -3.254) 3.254 18.670 ( -0.000 -0.000 22.144) 22.144 18.976 ( 0.000 0.000 -12.749) 12.749 19.213 ( 0.000 0.000 -25.583) 25.583 19.322 ( -0.000 -0.000 20.722) 20.722 19.491 ( -0.000 -0.000 20.131) 20.131 19.644 ( 0.000 0.000 -10.974) 10.974 19.902 ( -0.000 -0.000 21.272) 21.272 20.552 ( 0.000 0.000 -20.238) 20.238 21.116 ( -0.000 -0.000 10.565) 10.565 21.359 ( -0.000 -0.000 5.813) 5.813 21.600 ( 0.000 0.000 -15.258) 15.258 21.857 ( -0.000 -0.000 5.755) 5.755 21.859 ( -0.000 -0.000 20.195) 20.195 22.030 ( -0.000 -0.000 1.662) 1.662 22.076 ( 0.000 0.000 -1.144) 1.144 22.238 ( 0.000 0.000 -4.867) 4.867 22.264 ( 0.000 0.000 -5.144) 5.144 22.453 ( -0.000 -0.000 3.218) 3.218 22.750 ( -0.000 -0.000 9.029) 9.029 22.883 ( -0.000 -0.000 6.404) 6.404 23.002 ( -0.000 -0.000 10.372) 10.372 23.165 ( 0.000 0.000 -4.385) 4.385 23.234 ( -0.000 -0.000 7.928) 7.928 23.303 ( 0.000 0.000 -9.254) 9.254 23.543 ( -0.000 -0.000 11.137) 11.137 23.873 ( -0.000 -0.000 0.321) 0.321 24.106 ( -0.000 -0.000 3.773) 3.773 24.115 ( 0.000 0.000 -2.923) 2.923 24.122 ( 0.000 0.000 -21.314) 21.314 24.502 ( 0.000 0.000 -13.541) 13.541 25.010 ( -0.000 -0.000 6.063) 6.063 25.113 ( -0.000 -0.000 1.737) 1.737 25.296 ( 0.000 0.000 -11.398) 11.398 25.319 ( -0.000 -0.000 11.479) 11.479 25.420 ( 0.000 0.000 -5.549) 5.549 25.896 ( -0.000 -0.000 4.474) 4.474 26.012 ( 0.000 0.000 -14.650) 14.650 26.670 ( 0.000 0.000 -0.702) 0.702 26.819 ( 0.000 0.000 -2.418) 2.418 26.952 ( 0.000 0.000 -0.874) 0.874 27.181 ( -0.000 -0.000 2.054) 2.054 27.621 ( -0.000 -0.000 12.431) 12.431 27.867 ( 0.000 0.000 -13.534) 13.534 28.566 ( 0.000 0.000 -8.375) 8.375 28.763 ( -0.000 -0.000 8.924) 8.924 29.456 ( 0.000 0.000 -1.760) 1.760 29.846 ( -0.000 -0.000 0.970) 0.970 29.982 ( 0.000 0.000 -2.944) 2.944 30.054 ( 0.000 0.000 -2.568) 2.568 30.768 ( 0.000 0.000 -0.857) 0.857 30.943 ( -0.000 -0.000 0.354) 0.354 30.982 ( 0.000 0.000 -4.566) 4.566 31.108 ( -0.000 -0.000 6.400) 6.400 31.728 ( -0.000 -0.000 3.309) 3.309 32.233 ( 0.000 0.000 -1.148) 1.148 ======================= Grid point 137 (89/105) ======================= q-point: (-0.25 0.42 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( -27.231 0.000 0.398) 27.234 4.005 ( -6.051 0.000 -12.286) 13.695 4.650 ( 4.771 -0.000 10.946) 11.941 5.110 ( -4.395 0.000 0.522) 4.426 5.641 ( 1.531 0.000 -4.422) 4.680 5.981 ( 9.673 -0.000 -0.899) 9.714 7.450 ( -30.313 0.000 -0.085) 30.313 7.739 ( 3.768 -0.000 -0.690) 3.831 8.118 ( 4.762 -0.000 -2.409) 5.336 8.270 ( -4.108 0.000 2.851) 5.000 8.432 ( -13.070 -0.000 17.113) 21.533 8.679 ( -7.811 0.000 -0.290) 7.817 9.120 ( 3.743 -0.000 -2.176) 4.329 9.737 ( 9.532 -0.000 -7.211) 11.953 9.778 ( 7.298 -0.000 8.003) 10.830 11.028 ( 18.784 0.000 -31.372) 36.565 11.058 ( -34.711 0.000 18.079) 39.137 11.626 ( 4.468 -0.000 -3.406) 5.618 12.494 ( -17.753 0.000 -3.300) 18.057 12.799 ( 7.821 0.000 -27.647) 28.732 12.806 ( 3.875 -0.000 1.829) 4.285 13.464 ( 0.747 0.000 -12.338) 12.360 13.529 ( -7.926 0.000 -9.241) 12.175 13.775 ( -10.564 -0.000 16.754) 19.807 14.599 ( 7.214 -0.000 16.673) 18.167 15.316 ( 11.424 -0.000 10.829) 15.741 15.851 ( -5.459 0.000 -10.167) 11.540 16.092 ( -21.473 0.000 -13.715) 25.480 16.402 ( 2.788 0.000 -9.912) 10.297 16.769 ( -9.447 0.000 -0.730) 9.475 16.947 ( 1.853 -0.000 8.827) 9.020 17.094 ( 6.652 -0.000 6.397) 9.229 17.317 ( 1.588 0.000 -7.692) 7.855 17.344 ( 12.157 -0.000 -7.468) 14.267 17.642 ( -10.086 0.000 3.762) 10.765 17.746 ( -6.798 0.000 5.275) 8.604 17.762 ( 7.651 -0.000 4.170) 8.713 18.148 ( -9.623 0.000 0.378) 9.631 18.302 ( 2.684 -0.000 12.757) 13.036 18.346 ( -20.736 0.000 -5.791) 21.529 18.428 ( -3.576 0.000 0.977) 3.707 18.895 ( -1.077 -0.000 19.842) 19.871 18.901 ( 7.249 0.000 -13.184) 15.046 19.433 ( 3.556 -0.000 8.369) 9.093 19.487 ( -0.410 -0.000 7.001) 7.013 19.773 ( -10.668 0.000 -6.079) 12.279 19.926 ( -14.089 0.000 10.993) 17.871 20.429 ( 15.363 -0.000 16.444) 22.504 20.571 ( -5.483 0.000 3.837) 6.693 20.803 ( 6.458 0.000 -16.630) 17.839 21.259 ( 7.935 -0.000 7.418) 10.862 21.364 ( -4.399 -0.000 7.414) 8.621 21.402 ( -0.822 0.000 -2.111) 2.265 21.560 ( 12.072 -0.000 -5.511) 13.271 21.697 ( 4.777 -0.000 0.014) 4.777 21.873 ( -5.393 0.000 2.642) 6.005 22.187 ( 3.531 0.000 -4.200) 5.487 22.375 ( -0.618 0.000 -4.969) 5.008 22.418 ( 1.944 0.000 -3.539) 4.037 22.591 ( -10.220 0.000 2.100) 10.434 22.719 ( -11.738 0.000 -4.540) 12.585 22.747 ( -1.000 0.000 -7.983) 8.045 23.283 ( -8.544 0.000 0.029) 8.544 23.295 ( 3.443 0.000 -4.400) 5.587 23.486 ( 5.369 0.000 -8.955) 10.441 23.651 ( -2.409 -0.000 7.767) 8.132 23.866 ( 2.593 -0.000 -0.459) 2.634 23.915 ( 9.950 -0.000 9.302) 13.621 24.281 ( 15.473 -0.000 -0.028) 15.473 24.305 ( 34.189 -0.000 -5.261) 34.591 24.509 ( -1.200 0.000 -1.803) 2.166 24.583 ( 6.754 0.000 -13.513) 15.107 24.601 ( 1.071 -0.000 0.769) 1.318 25.006 ( -5.100 -0.000 10.967) 12.094 25.241 ( 1.446 -0.000 0.745) 1.627 25.423 ( 0.075 -0.000 8.152) 8.152 25.454 ( 9.061 -0.000 0.701) 9.088 25.608 ( 3.787 0.000 -3.982) 5.495 26.652 ( 1.860 0.000 -2.121) 2.820 26.796 ( 2.358 -0.000 3.542) 4.255 26.809 ( 4.775 -0.000 0.777) 4.838 26.976 ( 2.865 -0.000 5.547) 6.243 27.627 ( -7.598 0.000 -1.547) 7.754 28.416 ( 0.682 0.000 -8.980) 9.006 28.889 ( -1.583 0.000 -5.540) 5.761 29.197 ( -10.815 0.000 -5.929) 12.333 29.770 ( -3.547 -0.000 3.976) 5.328 30.024 ( 3.845 -0.000 1.903) 4.290 30.173 ( -5.513 0.000 0.845) 5.578 30.226 ( -5.287 0.000 -2.154) 5.709 30.422 ( -0.133 -0.000 10.248) 10.249 30.750 ( 7.681 -0.000 -1.932) 7.920 30.983 ( -3.640 0.000 -1.738) 4.033 31.099 ( 0.913 0.000 -1.145) 1.464 31.867 ( -5.504 0.000 0.454) 5.523 32.168 ( 3.655 -0.000 -0.408) 3.678 ======================= Grid point 144 (90/105) ======================= q-point: ( 0.54 -0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -19.393 1.606 2.303) 19.596 3.465 ( -14.102 -2.266 -4.545) 14.988 4.960 ( -3.349 -1.118 3.819) 5.201 4.980 ( 6.186 0.162 2.013) 6.507 5.557 ( -3.081 12.426 11.300) 17.076 6.004 ( -0.674 18.309 6.456) 19.426 6.401 ( -6.139 5.207 21.922) 23.353 6.786 ( -37.068 35.075 28.851) 58.623 7.871 ( 0.365 0.799 -6.229) 6.290 8.238 ( 2.075 5.349 3.959) 6.971 8.336 ( 0.831 0.397 0.804) 1.222 8.660 ( -14.148 28.004 -21.550) 38.063 8.932 ( 1.508 -17.918 -41.176) 44.931 9.725 ( 15.255 -11.546 -11.469) 22.306 10.058 ( 4.260 -10.297 10.901) 15.589 10.638 ( -22.024 -4.368 -3.202) 22.680 11.168 ( 3.793 -11.697 11.608) 16.910 11.647 ( -17.703 4.301 4.183) 18.692 11.981 ( 0.202 -1.884 7.350) 7.590 12.422 ( 5.663 2.747 -13.058) 14.496 12.660 ( -15.135 7.575 0.294) 16.927 12.893 ( -8.753 11.310 -7.969) 16.371 13.472 ( 0.529 -2.584 -25.960) 26.093 13.896 ( 12.985 5.826 -25.691) 29.369 14.974 ( 3.162 -1.565 -1.170) 3.717 15.300 ( -5.949 -0.803 -11.070) 12.593 15.707 ( 1.132 -5.315 5.871) 8.000 15.809 ( 6.805 13.961 8.959) 17.930 16.589 ( 5.899 -12.084 1.622) 13.544 16.790 ( 4.431 0.643 10.435) 11.355 16.992 ( -3.430 -14.445 6.732) 16.301 17.138 ( -1.498 3.369 2.697) 4.568 17.361 ( -11.372 3.480 0.972) 11.933 17.545 ( 0.586 -3.501 -0.270) 3.560 17.687 ( 0.275 3.670 12.049) 12.598 17.810 ( 4.235 -4.540 -0.384) 6.220 17.888 ( 6.058 -4.769 -2.237) 8.028 18.074 ( 12.373 -5.315 -5.476) 14.537 18.370 ( -6.855 3.032 -0.248) 7.500 18.388 ( -0.357 -15.016 -0.771) 15.040 18.493 ( -4.214 -0.368 6.045) 7.379 18.570 ( -4.478 -7.408 13.982) 16.445 18.950 ( -3.500 0.969 12.437) 12.957 19.240 ( -8.929 1.454 2.797) 9.469 19.286 ( -3.360 6.325 0.474) 7.178 19.892 ( -16.845 -4.071 -13.071) 21.706 19.993 ( 22.605 -1.164 -22.332) 31.797 20.614 ( 15.528 3.957 5.183) 16.842 20.737 ( 13.362 -1.880 -6.820) 15.119 21.027 ( -2.822 4.071 9.349) 10.580 21.149 ( 0.315 1.851 -6.652) 6.912 21.286 ( -4.033 -5.164 -0.900) 6.614 21.417 ( -13.615 1.908 -5.719) 14.890 21.555 ( 10.383 -7.030 15.552) 19.977 21.792 ( 4.579 4.479 1.676) 6.620 21.884 ( 1.935 5.571 8.598) 10.427 22.105 ( -4.994 4.150 9.484) 11.494 22.256 ( -2.882 -1.263 1.707) 3.580 22.369 ( -10.110 -5.500 9.557) 14.960 22.428 ( 0.802 -0.103 1.556) 1.753 22.508 ( 4.596 0.677 -4.963) 6.798 22.615 ( 0.646 4.007 1.825) 4.450 22.952 ( -10.673 -2.319 5.761) 12.348 23.408 ( -1.316 -2.014 0.351) 2.431 23.623 ( 1.114 -3.851 -7.863) 8.826 23.711 ( 0.812 -2.036 -5.293) 5.729 23.918 ( 0.869 -3.580 -0.288) 3.696 23.954 ( -5.045 3.344 4.384) 7.474 24.153 ( -0.306 4.071 0.867) 4.173 24.574 ( -1.126 1.002 2.925) 3.291 24.825 ( 3.974 -0.732 -12.185) 12.838 24.995 ( 3.840 4.553 -2.043) 6.297 25.053 ( 0.217 -0.134 -5.659) 5.665 25.178 ( 9.536 -0.766 -1.623) 9.704 25.416 ( -0.351 0.419 9.483) 9.499 25.666 ( 3.853 3.460 -5.666) 7.676 25.702 ( 19.637 0.766 -4.251) 20.107 26.147 ( 26.511 3.700 -2.667) 26.901 26.704 ( -0.436 0.142 -1.525) 1.592 26.902 ( -1.803 1.486 2.170) 3.188 26.920 ( 0.071 0.481 0.552) 0.735 27.053 ( 1.363 -0.288 4.094) 4.325 27.349 ( -7.605 -3.736 1.724) 8.647 28.350 ( -0.848 4.619 -8.121) 9.381 28.602 ( -12.801 2.944 0.583) 13.148 28.894 ( -0.516 -3.748 -4.469) 5.856 29.600 ( -4.883 -3.165 -0.079) 5.820 29.943 ( -3.364 3.975 -3.508) 6.279 30.062 ( -0.519 2.283 -0.647) 2.429 30.088 ( -2.078 0.676 -0.842) 2.342 30.418 ( -0.474 -1.889 11.550) 11.713 30.905 ( -0.469 0.187 0.763) 0.915 30.995 ( 4.741 4.211 -0.996) 6.419 31.186 ( 2.055 -4.585 -2.660) 5.685 31.665 ( -4.668 -1.637 1.565) 5.188 32.267 ( 1.524 0.539 -0.886) 1.843 ======================= Grid point 151 (91/105) ======================= q-point: (-0.28 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.394 ( -26.827 0.000 -0.000) 26.827 4.066 ( 23.375 -0.000 0.000) 23.375 4.537 ( -15.441 0.000 -0.000) 15.441 5.152 ( -0.993 0.000 -0.000) 0.993 5.619 ( 5.459 -0.000 0.000) 5.459 5.786 ( 11.656 -0.000 0.000) 11.656 7.533 ( 15.063 -0.000 0.000) 15.063 7.764 ( 34.059 -0.000 0.000) 34.059 8.103 ( 3.409 -0.000 0.000) 3.409 8.220 ( -2.519 0.000 -0.000) 2.519 8.715 ( -49.705 0.000 -0.000) 49.705 8.804 ( -10.605 0.000 -0.000) 10.605 9.263 ( -10.212 0.000 -0.000) 10.212 9.315 ( 29.385 -0.000 0.000) 29.385 9.409 ( 8.558 -0.000 0.000) 8.558 11.180 ( 6.701 -0.000 0.000) 6.701 11.351 ( 12.847 -0.000 0.000) 12.847 11.592 ( -27.114 0.000 -0.000) 27.114 12.136 ( 58.613 -0.000 0.000) 58.613 12.950 ( -12.955 0.000 -0.000) 12.955 13.204 ( 3.452 -0.000 0.000) 3.452 13.621 ( -13.529 0.000 -0.000) 13.529 13.644 ( -0.349 0.000 -0.000) 0.349 13.739 ( -7.982 0.000 -0.000) 7.982 14.219 ( 6.315 -0.000 0.000) 6.315 14.922 ( 9.512 -0.000 0.000) 9.512 16.121 ( -8.705 0.000 -0.000) 8.705 16.448 ( 7.112 -0.000 0.000) 7.112 16.642 ( 3.977 -0.000 0.000) 3.977 16.733 ( 3.279 -0.000 0.000) 3.279 16.950 ( -9.269 0.000 -0.000) 9.269 16.993 ( -11.678 0.000 -0.000) 11.678 17.342 ( -3.688 0.000 -0.000) 3.688 17.388 ( 1.791 -0.000 0.000) 1.791 17.542 ( -4.318 0.000 -0.000) 4.318 17.784 ( -6.632 0.000 -0.000) 6.632 18.058 ( -0.477 0.000 -0.000) 0.477 18.253 ( -40.279 0.000 -0.000) 40.279 18.412 ( -3.460 0.000 -0.000) 3.460 18.487 ( -16.162 0.000 -0.000) 16.162 18.518 ( -5.133 0.000 -0.000) 5.133 18.952 ( 14.233 -0.000 0.000) 14.233 19.074 ( 13.505 -0.000 0.000) 13.505 19.437 ( -11.217 0.000 -0.000) 11.217 19.451 ( -36.348 0.000 -0.000) 36.348 19.595 ( 15.406 -0.000 0.000) 15.406 20.001 ( -8.158 0.000 -0.000) 8.158 20.315 ( -11.265 0.000 -0.000) 11.265 20.511 ( 7.435 -0.000 0.000) 7.435 20.761 ( 13.717 -0.000 0.000) 13.717 20.904 ( 15.778 -0.000 0.000) 15.778 21.367 ( 13.096 -0.000 0.000) 13.096 21.453 ( -1.490 0.000 -0.000) 1.490 21.616 ( -10.290 0.000 -0.000) 10.290 21.663 ( -2.488 0.000 -0.000) 2.488 21.783 ( 0.346 -0.000 0.000) 0.346 22.148 ( 3.955 -0.000 0.000) 3.955 22.307 ( 10.528 -0.000 0.000) 10.528 22.472 ( 4.674 -0.000 0.000) 4.674 22.685 ( 1.633 -0.000 0.000) 1.633 22.944 ( -10.374 0.000 -0.000) 10.374 23.067 ( -9.228 0.000 -0.000) 9.228 23.210 ( 7.662 -0.000 0.000) 7.662 23.414 ( -1.371 0.000 -0.000) 1.371 23.427 ( 10.253 -0.000 0.000) 10.253 23.519 ( 26.900 -0.000 0.000) 26.900 23.613 ( -7.129 0.000 -0.000) 7.129 23.637 ( -0.453 0.000 -0.000) 0.453 23.978 ( 9.588 -0.000 0.000) 9.588 24.023 ( 1.442 -0.000 0.000) 1.442 24.504 ( 5.982 -0.000 0.000) 5.982 24.612 ( 7.132 -0.000 0.000) 7.132 24.750 ( -13.408 0.000 -0.000) 13.408 25.014 ( -7.799 0.000 -0.000) 7.799 25.196 ( 4.523 -0.000 0.000) 4.523 25.304 ( -0.801 0.000 -0.000) 0.801 25.324 ( 3.998 -0.000 0.000) 3.998 25.569 ( 4.422 -0.000 0.000) 4.422 26.646 ( 1.557 -0.000 0.000) 1.557 26.727 ( 2.833 -0.000 0.000) 2.833 26.738 ( -0.419 0.000 -0.000) 0.419 26.874 ( 0.523 -0.000 0.000) 0.523 27.791 ( -6.911 0.000 -0.000) 6.911 28.484 ( 2.917 -0.000 0.000) 2.917 28.973 ( 0.559 -0.000 0.000) 0.559 29.411 ( -3.311 0.000 -0.000) 3.311 29.744 ( 0.335 -0.000 0.000) 0.335 29.910 ( 4.379 -0.000 0.000) 4.379 30.232 ( -2.795 0.000 -0.000) 2.795 30.324 ( -1.580 0.000 -0.000) 1.580 30.358 ( -5.699 0.000 -0.000) 5.699 30.645 ( 5.693 -0.000 0.000) 5.693 31.066 ( 3.214 -0.000 0.000) 3.214 31.110 ( -6.292 0.000 -0.000) 6.292 31.966 ( -5.102 0.000 -0.000) 5.102 32.094 ( 4.275 -0.000 0.000) 4.275 ======================= Grid point 152 (92/105) ======================= q-point: (-0.28 -0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -18.159 0.000 1.037) 18.189 3.358 ( -12.385 0.000 -2.838) 12.706 4.992 ( -1.298 -0.000 2.175) 2.533 5.023 ( 5.096 -0.000 1.619) 5.347 5.589 ( 3.307 0.000 -8.915) 9.508 6.169 ( 4.668 0.000 -7.163) 8.550 7.134 ( 1.842 -0.000 -0.778) 2.000 7.454 ( 1.237 0.000 -43.347) 43.365 7.917 ( -12.541 0.000 -23.256) 26.422 8.048 ( -36.302 0.000 -6.548) 36.887 8.103 ( -11.414 -0.000 40.536) 42.113 8.403 ( 4.349 -0.000 3.751) 5.743 8.491 ( -9.565 -0.000 23.484) 25.357 9.395 ( -2.720 0.000 -6.443) 6.994 10.039 ( 4.074 -0.000 1.756) 4.437 10.691 ( -5.518 0.000 -16.925) 17.802 11.228 ( 2.625 -0.000 6.575) 7.079 11.245 ( 6.658 0.000 -39.951) 40.502 11.986 ( -14.441 0.000 -2.993) 14.748 12.241 ( -0.997 0.000 -0.276) 1.035 12.669 ( -17.136 0.000 -8.859) 19.290 12.839 ( -17.376 -0.000 19.544) 26.151 13.290 ( 22.958 -0.000 -15.754) 27.843 13.865 ( -3.271 -0.000 8.581) 9.183 14.853 ( -2.866 0.000 -6.763) 7.345 15.063 ( -6.543 0.000 -9.105) 11.212 15.717 ( 2.388 -0.000 3.893) 4.567 16.147 ( 10.096 -0.000 3.151) 10.576 16.510 ( 10.319 -0.000 3.814) 11.001 16.970 ( -4.964 -0.000 7.855) 9.292 16.990 ( 11.600 -0.000 2.948) 11.969 17.257 ( -2.385 0.000 -2.938) 3.784 17.357 ( 0.491 0.000 -2.892) 2.933 17.502 ( -1.980 0.000 0.415) 2.023 17.644 ( -1.038 0.000 -0.425) 1.122 17.747 ( 10.216 -0.000 6.570) 12.147 17.862 ( 17.484 -0.000 -7.124) 18.880 18.195 ( 5.348 -0.000 21.966) 22.608 18.276 ( -1.184 0.000 -0.291) 1.219 18.386 ( -7.639 -0.000 9.528) 12.213 18.552 ( -18.201 0.000 -0.401) 18.206 18.852 ( 5.322 -0.000 8.946) 10.409 19.297 ( -9.625 0.000 -3.737) 10.325 19.319 ( 2.360 -0.000 15.531) 15.710 19.398 ( -29.921 0.000 4.526) 30.261 19.474 ( 20.944 0.000 -24.035) 31.880 19.636 ( -18.638 0.000 -0.267) 18.640 20.229 ( -10.488 0.000 -24.302) 26.469 20.806 ( 23.132 -0.000 9.341) 24.947 21.004 ( -4.584 0.000 -19.684) 20.211 21.090 ( 1.766 -0.000 3.965) 4.340 21.454 ( -2.277 -0.000 19.120) 19.255 21.583 ( 2.678 -0.000 7.716) 8.167 21.864 ( 7.042 -0.000 11.370) 13.374 21.980 ( -1.616 0.000 -0.973) 1.887 22.027 ( 4.530 -0.000 15.903) 16.536 22.168 ( -7.084 0.000 -4.892) 8.609 22.362 ( -0.572 0.000 -0.130) 0.586 22.390 ( -3.090 -0.000 5.034) 5.906 22.446 ( 12.680 -0.000 4.529) 13.465 22.583 ( 2.267 -0.000 8.431) 8.730 22.708 ( 3.902 -0.000 4.440) 5.911 23.083 ( -2.003 -0.000 3.118) 3.706 23.282 ( 1.341 0.000 -8.220) 8.329 23.516 ( 4.099 0.000 -10.562) 11.330 23.548 ( -10.416 0.000 6.592) 12.327 23.871 ( -0.175 -0.000 0.503) 0.532 24.096 ( -6.828 0.000 4.472) 8.163 24.174 ( 1.069 0.000 -2.952) 3.139 24.483 ( 4.511 0.000 -17.520) 18.091 24.715 ( 5.641 -0.000 7.578) 9.447 24.821 ( -1.136 0.000 -12.899) 12.949 25.054 ( 5.709 -0.000 1.020) 5.800 25.176 ( 3.454 -0.000 2.302) 4.151 25.472 ( 4.869 0.000 -7.455) 8.904 25.553 ( 1.567 0.000 -7.357) 7.522 25.670 ( 11.602 -0.000 4.688) 12.514 26.083 ( 18.708 -0.000 -7.225) 20.055 26.688 ( 0.108 -0.000 0.054) 0.121 26.918 ( -3.250 0.000 -1.324) 3.510 26.960 ( 0.772 -0.000 0.587) 0.970 27.128 ( -0.758 -0.000 3.822) 3.897 27.412 ( -3.342 -0.000 8.091) 8.754 28.163 ( -1.180 0.000 -13.497) 13.549 28.680 ( -7.965 0.000 4.041) 8.931 28.726 ( 0.265 0.000 -7.273) 7.277 29.559 ( -6.696 0.000 -0.857) 6.751 29.911 ( -5.473 0.000 -1.418) 5.653 30.041 ( -0.565 0.000 -2.547) 2.609 30.104 ( -1.208 0.000 -0.243) 1.233 30.654 ( -0.405 -0.000 11.047) 11.054 30.925 ( 0.172 -0.000 0.767) 0.786 31.008 ( 6.257 -0.000 -3.460) 7.150 31.068 ( 0.051 0.000 -1.739) 1.740 31.697 ( -3.987 0.000 2.875) 4.915 32.248 ( 1.377 -0.000 -1.367) 1.940 ======================= Grid point 157 (93/105) ======================= q-point: ( 0.51 -0.51 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -27.662 -0.398 -0.000) 27.665 3.882 ( -21.137 -5.384 -0.000) 21.812 4.762 ( 13.376 0.890 0.000) 13.405 5.053 ( -4.999 -2.444 -0.000) 5.564 5.775 ( 1.979 -0.981 -0.000) 2.209 5.889 ( -15.939 24.581 0.000) 29.296 6.398 ( -27.387 2.710 -0.000) 27.521 7.147 ( -27.415 46.642 0.000) 54.102 7.861 ( 4.826 -0.279 0.000) 4.834 8.172 ( 0.870 3.413 0.000) 3.522 8.323 ( 0.740 0.128 0.000) 0.751 9.096 ( -8.111 -11.998 -0.000) 14.482 9.439 ( 11.211 -13.584 -0.000) 17.613 9.557 ( -15.633 14.338 0.000) 21.212 10.003 ( -9.931 -2.063 -0.000) 10.143 10.505 ( 20.746 -15.987 -0.000) 26.192 11.505 ( -17.113 18.494 0.000) 25.197 11.805 ( 1.543 -15.290 -0.000) 15.367 12.110 ( -21.769 23.486 0.000) 32.023 12.413 ( 6.528 -8.956 -0.000) 11.083 12.878 ( -0.157 29.938 0.000) 29.938 13.097 ( -25.147 -1.879 -0.000) 25.217 13.826 ( 1.004 -14.237 -0.000) 14.272 13.833 ( 17.771 -1.558 0.000) 17.839 14.769 ( 9.671 -7.655 -0.000) 12.334 15.328 ( 13.544 15.635 0.000) 20.686 15.799 ( -14.413 4.875 -0.000) 15.215 15.815 ( -6.825 -1.240 -0.000) 6.937 16.469 ( -1.151 -0.591 -0.000) 1.294 16.766 ( -6.032 -13.124 -0.000) 14.443 16.973 ( -1.817 -11.015 -0.000) 11.164 17.060 ( -0.664 -3.175 -0.000) 3.244 17.510 ( -1.630 10.255 0.000) 10.384 17.556 ( -1.525 -2.432 -0.000) 2.870 17.699 ( 9.510 -2.742 0.000) 9.898 17.759 ( 11.667 0.512 0.000) 11.678 17.761 ( -1.831 -6.355 -0.000) 6.613 18.139 ( 3.140 -2.711 -0.000) 4.149 18.182 ( -19.698 -12.325 -0.000) 23.237 18.460 ( -1.392 -11.836 -0.000) 11.917 18.479 ( -0.627 -15.500 -0.000) 15.512 18.537 ( -0.898 1.611 0.000) 1.845 18.976 ( -14.396 -0.974 -0.000) 14.429 19.247 ( 2.903 4.407 0.000) 5.277 19.342 ( -1.996 -1.498 -0.000) 2.495 19.804 ( 19.423 1.226 0.000) 19.461 20.146 ( 9.838 10.134 0.000) 14.124 20.259 ( 18.997 0.052 0.000) 18.997 20.410 ( -10.921 -3.760 -0.000) 11.550 21.010 ( -3.579 2.465 0.000) 4.346 21.217 ( 9.692 4.717 0.000) 10.779 21.266 ( 2.504 0.305 0.000) 2.523 21.415 ( -5.537 -6.142 -0.000) 8.269 21.711 ( -2.966 -1.055 -0.000) 3.148 21.715 ( 7.317 8.667 0.000) 11.342 21.816 ( -1.037 0.609 0.000) 1.203 22.137 ( -16.577 1.395 -0.000) 16.635 22.294 ( 1.021 1.781 0.000) 2.053 22.428 ( -4.499 -1.686 -0.000) 4.804 22.464 ( -3.668 -1.236 -0.000) 3.871 22.588 ( -8.812 8.915 0.000) 12.535 22.620 ( -2.324 0.270 -0.000) 2.340 23.101 ( -12.320 -7.162 -0.000) 14.250 23.431 ( -0.927 0.039 -0.000) 0.928 23.665 ( 5.078 -7.728 -0.000) 9.247 23.741 ( 3.857 8.885 0.000) 9.686 23.884 ( 3.085 -3.982 -0.000) 5.037 23.956 ( 0.243 -2.158 -0.000) 2.172 24.204 ( -8.741 4.063 0.000) 9.639 24.557 ( 5.729 1.524 0.000) 5.928 24.819 ( 7.937 4.446 0.000) 9.098 24.854 ( 9.878 -0.085 0.000) 9.879 24.965 ( 10.914 -4.185 0.000) 11.689 25.114 ( 32.810 -0.428 0.000) 32.813 25.235 ( 1.616 0.245 0.000) 1.634 25.284 ( -0.457 -0.167 -0.000) 0.486 25.664 ( 20.515 4.869 0.000) 21.085 25.692 ( 2.878 3.926 0.000) 4.868 26.743 ( -0.611 -0.740 -0.000) 0.959 26.796 ( 4.438 -1.708 0.000) 4.755 26.918 ( 5.655 0.994 0.000) 5.742 26.935 ( 1.557 1.291 0.000) 2.023 27.521 ( -9.463 -3.992 -0.000) 10.270 28.442 ( -0.117 5.944 0.000) 5.945 28.941 ( -17.894 3.660 -0.000) 18.265 28.967 ( -2.074 -4.469 -0.000) 4.927 29.685 ( -4.294 -3.003 -0.000) 5.240 30.005 ( 0.380 5.838 0.000) 5.850 30.119 ( -3.265 1.303 -0.000) 3.515 30.177 ( -4.094 -1.473 -0.000) 4.351 30.274 ( -0.955 -2.647 -0.000) 2.814 30.881 ( 7.600 3.689 0.000) 8.448 30.925 ( -2.398 0.470 -0.000) 2.443 31.178 ( 1.655 -4.112 -0.000) 4.432 31.757 ( -5.967 -1.045 -0.000) 6.058 32.233 ( 2.920 0.477 0.000) 2.959 ======================= Grid point 163 (94/105) ======================= q-point: ( 0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 0.000 5.470 0.000) 5.470 3.365 ( 0.000 2.026 0.000) 2.026 4.099 ( 0.000 49.765 0.000) 49.765 4.840 ( 0.000 64.228 0.000) 64.228 5.030 ( -0.000 -0.369 -0.000) 0.369 5.140 ( -0.000 -1.386 -0.000) 1.386 6.082 ( -0.000 -5.244 -0.000) 5.244 6.223 ( 0.000 4.258 0.000) 4.258 7.176 ( 0.000 100.388 0.000) 100.388 7.929 ( 0.000 2.613 0.000) 2.613 8.061 ( 0.000 7.488 0.000) 7.488 8.328 ( 0.000 0.459 0.000) 0.459 9.841 ( -0.000 -17.628 -0.000) 17.628 10.152 ( -0.000 -9.966 -0.000) 9.966 10.458 ( 0.000 13.154 0.000) 13.154 10.891 ( -0.000 -38.815 -0.000) 38.815 11.028 ( 0.000 5.708 0.000) 5.708 11.509 ( -0.000 -38.305 -0.000) 38.305 12.144 ( 0.000 16.747 0.000) 16.747 12.261 ( -0.000 -22.216 -0.000) 22.216 12.447 ( 0.000 19.226 0.000) 19.226 12.575 ( -0.000 -0.697 -0.000) 0.697 14.267 ( -0.000 -8.509 -0.000) 8.509 14.314 ( 0.000 4.652 0.000) 4.652 15.231 ( -0.000 -11.548 -0.000) 11.548 15.285 ( 0.000 15.766 0.000) 15.766 15.414 ( 0.000 0.310 0.000) 0.310 15.777 ( -0.000 -8.900 -0.000) 8.900 16.502 ( 0.000 2.380 0.000) 2.380 17.024 ( -0.000 -19.303 -0.000) 19.303 17.092 ( 0.000 5.035 0.000) 5.035 17.158 ( 0.000 3.029 0.000) 3.029 17.280 ( 0.000 3.037 0.000) 3.037 17.310 ( -0.000 -16.537 -0.000) 16.537 17.561 ( -0.000 -2.650 -0.000) 2.650 17.853 ( 0.000 11.002 0.000) 11.002 18.034 ( 0.000 8.190 0.000) 8.190 18.067 ( -0.000 -9.812 -0.000) 9.812 18.148 ( 0.000 8.865 0.000) 8.865 18.270 ( 0.000 4.819 0.000) 4.819 18.578 ( -0.000 -2.986 -0.000) 2.986 18.763 ( 0.000 8.064 0.000) 8.064 19.133 ( -0.000 -3.174 -0.000) 3.174 19.140 ( -0.000 -42.089 -0.000) 42.089 19.155 ( 0.000 13.359 0.000) 13.359 19.957 ( -0.000 -8.084 -0.000) 8.084 20.128 ( 0.000 16.679 0.000) 16.679 20.796 ( 0.000 1.063 0.000) 1.063 20.921 ( 0.000 2.714 0.000) 2.714 21.160 ( -0.000 -3.463 -0.000) 3.463 21.267 ( 0.000 11.353 0.000) 11.353 21.407 ( -0.000 -16.574 -0.000) 16.574 21.513 ( 0.000 5.254 0.000) 5.254 21.522 ( -0.000 -15.747 -0.000) 15.747 21.557 ( 0.000 4.296 0.000) 4.296 21.739 ( 0.000 3.140 0.000) 3.140 21.880 ( -0.000 -7.222 -0.000) 7.222 21.959 ( -0.000 -1.724 -0.000) 1.724 22.402 ( -0.000 -3.760 -0.000) 3.760 22.485 ( 0.000 6.570 0.000) 6.570 22.496 ( -0.000 -2.468 -0.000) 2.468 22.590 ( -0.000 -0.127 -0.000) 0.127 22.878 ( -0.000 -11.442 -0.000) 11.442 23.519 ( -0.000 -10.808 -0.000) 10.808 23.591 ( 0.000 15.180 0.000) 15.180 23.755 ( 0.000 6.062 0.000) 6.062 23.905 ( -0.000 -3.072 -0.000) 3.072 23.991 ( -0.000 -7.085 -0.000) 7.085 24.078 ( 0.000 2.154 0.000) 2.154 24.508 ( 0.000 0.101 0.000) 0.101 24.881 ( 0.000 11.519 0.000) 11.519 25.092 ( 0.000 2.374 0.000) 2.374 25.126 ( -0.000 -3.299 -0.000) 3.299 25.190 ( 0.000 0.641 0.000) 0.641 25.308 ( 0.000 0.598 0.000) 0.598 25.623 ( 0.000 7.763 0.000) 7.763 25.964 ( 0.000 2.981 0.000) 2.981 26.494 ( 0.000 6.447 0.000) 6.447 26.689 ( 0.000 2.654 0.000) 2.654 26.691 ( 0.000 1.447 0.000) 1.447 26.963 ( -0.000 -3.160 -0.000) 3.160 27.002 ( 0.000 2.737 0.000) 2.737 27.326 ( -0.000 -5.894 -0.000) 5.894 28.320 ( 0.000 6.224 0.000) 6.224 28.373 ( 0.000 3.338 0.000) 3.338 29.014 ( -0.000 -4.080 -0.000) 4.080 29.642 ( -0.000 -5.234 -0.000) 5.234 29.795 ( 0.000 10.355 0.000) 10.355 30.006 ( 0.000 3.626 0.000) 3.626 30.075 ( 0.000 0.314 0.000) 0.314 30.334 ( -0.000 -3.550 -0.000) 3.550 30.893 ( -0.000 -0.425 -0.000) 0.425 30.964 ( 0.000 4.224 0.000) 4.224 31.327 ( -0.000 -3.746 -0.000) 3.746 31.655 ( -0.000 -3.829 -0.000) 3.829 32.276 ( 0.000 1.088 0.000) 1.088 ======================= Grid point 168 (95/105) ======================= q-point: (-0.31 0.47 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -26.397 0.000 1.632) 26.447 3.748 ( -17.199 0.000 -6.427) 18.360 4.823 ( 10.209 -0.000 4.129) 11.012 5.021 ( -4.741 0.000 -0.090) 4.742 5.643 ( -0.939 0.000 -5.349) 5.431 6.139 ( 6.920 -0.000 -1.295) 7.040 6.825 ( -29.988 0.000 28.984) 41.705 7.798 ( 3.214 0.000 -6.894) 7.606 7.972 ( -27.086 0.000 18.069) 32.560 8.211 ( 4.848 -0.000 1.518) 5.080 8.346 ( -1.385 -0.000 3.641) 3.895 8.608 ( 0.228 0.000 -14.537) 14.539 9.277 ( 12.876 -0.000 0.352) 12.881 9.401 ( -33.424 0.000 -36.002) 49.125 9.828 ( 0.792 -0.000 10.768) 10.797 10.842 ( 6.272 -0.000 23.279) 24.109 11.201 ( -10.742 0.000 -24.237) 26.511 11.745 ( 9.423 0.000 -24.212) 25.981 12.139 ( -13.181 0.000 10.072) 16.588 12.643 ( -17.949 0.000 5.715) 18.837 12.964 ( 0.591 0.000 -6.001) 6.030 13.262 ( -16.518 0.000 -18.566) 24.850 13.354 ( -2.496 0.000 -14.105) 14.324 13.744 ( 6.177 -0.000 4.021) 7.370 14.769 ( 9.638 -0.000 8.406) 12.789 15.472 ( -1.522 0.000 -7.063) 7.225 15.746 ( -6.138 0.000 -5.067) 7.959 15.832 ( 0.698 -0.000 0.798) 1.061 16.390 ( -1.379 0.000 -3.886) 4.123 16.712 ( 3.298 -0.000 4.614) 5.671 16.901 ( -5.214 -0.000 8.526) 9.994 17.181 ( 2.233 -0.000 8.658) 8.941 17.431 ( 8.822 0.000 -10.103) 13.412 17.584 ( 5.034 -0.000 -4.428) 6.704 17.594 ( 12.606 -0.000 -9.875) 16.013 17.636 ( -5.288 -0.000 5.951) 7.961 17.820 ( -3.520 0.000 -4.352) 5.597 17.903 ( -14.215 0.000 4.316) 14.856 18.216 ( -4.687 -0.000 6.985) 8.412 18.371 ( 13.373 -0.000 18.064) 22.475 18.455 ( 0.211 0.000 -0.479) 0.523 18.875 ( 1.533 -0.000 19.874) 19.933 18.911 ( -11.354 0.000 -3.566) 11.901 19.362 ( -2.171 -0.000 5.044) 5.492 19.542 ( -12.672 -0.000 17.587) 21.677 19.740 ( 6.847 0.000 -24.795) 25.723 19.782 ( 16.539 -0.000 -0.218) 16.541 20.391 ( -10.535 0.000 2.893) 10.925 20.667 ( 7.565 -0.000 -1.384) 7.691 20.982 ( 12.327 -0.000 5.731) 13.594 21.252 ( -7.105 0.000 -5.061) 8.723 21.319 ( -1.492 -0.000 5.899) 6.085 21.383 ( -0.042 -0.000 7.761) 7.761 21.693 ( -11.804 0.000 -2.396) 12.045 21.730 ( 5.443 -0.000 0.229) 5.448 21.851 ( 8.580 -0.000 1.034) 8.642 22.277 ( 4.372 0.000 -5.685) 7.172 22.297 ( -7.370 -0.000 9.566) 12.076 22.397 ( -7.013 0.000 1.423) 7.156 22.425 ( 1.085 0.000 -3.216) 3.394 22.547 ( -7.423 0.000 -2.347) 7.786 22.718 ( -3.084 0.000 -1.283) 3.340 23.098 ( -9.814 0.000 5.489) 11.244 23.401 ( 5.294 0.000 -8.516) 10.028 23.573 ( -5.997 -0.000 6.342) 8.729 23.614 ( 7.627 0.000 -11.564) 13.853 23.876 ( -0.042 0.000 -0.766) 0.767 24.031 ( 2.396 -0.000 6.991) 7.391 24.267 ( -8.085 0.000 0.103) 8.085 24.585 ( 4.129 -0.000 -0.099) 4.130 24.706 ( 6.180 0.000 -13.867) 15.181 24.840 ( 15.526 -0.000 -0.145) 15.527 24.933 ( 23.182 -0.000 -11.822) 26.023 24.988 ( 5.318 -0.000 7.304) 9.035 25.298 ( 10.011 -0.000 3.244) 10.523 25.424 ( 0.065 -0.000 8.090) 8.090 25.636 ( 6.774 -0.000 -5.657) 8.826 25.750 ( 15.550 -0.000 0.394) 15.555 26.685 ( 1.419 0.000 -2.071) 2.510 26.853 ( 3.378 -0.000 4.350) 5.508 26.904 ( 4.465 -0.000 -0.198) 4.470 27.028 ( 2.104 -0.000 5.161) 5.574 27.472 ( -8.610 0.000 -0.334) 8.617 28.416 ( -0.493 0.000 -8.586) 8.601 28.861 ( -1.085 0.000 -5.012) 5.128 28.933 ( -16.188 0.000 -3.513) 16.565 29.678 ( -5.875 0.000 1.924) 6.182 30.066 ( -5.472 0.000 -2.482) 6.008 30.079 ( 1.757 -0.000 0.428) 1.809 30.140 ( -3.574 0.000 -1.478) 3.868 30.413 ( -0.782 -0.000 11.829) 11.855 30.909 ( 8.709 -0.000 -1.653) 8.865 30.930 ( -1.915 0.000 -0.073) 1.916 31.110 ( 0.295 0.000 -1.731) 1.756 31.757 ( -5.942 0.000 1.017) 6.029 32.230 ( 2.826 -0.000 -0.715) 2.915 ======================= Grid point 175 (96/105) ======================= q-point: ( 0.48 -0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 0.000 2.766 2.868) 3.984 3.320 ( 0.000 -1.065 -3.604) 3.758 4.930 ( -0.000 -0.592 8.245) 8.266 5.041 ( -0.000 -0.129 1.478) 1.484 5.544 ( 0.000 19.586 25.459) 32.121 6.049 ( 0.000 7.900 1.637) 8.067 6.262 ( 0.000 46.070 26.726) 53.261 6.388 ( -0.000 -1.146 20.688) 20.720 7.878 ( 0.000 3.206 -9.446) 9.975 8.262 ( 0.000 6.451 5.768) 8.653 8.343 ( 0.000 0.851 0.844) 1.198 8.555 ( 0.000 31.300 -24.725) 39.888 8.958 ( 0.000 -18.772 -45.150) 48.897 9.917 ( -0.000 -16.047 -27.962) 32.240 10.195 ( 0.000 21.384 10.802) 23.958 10.260 ( -0.000 -28.863 5.876) 29.455 11.315 ( -0.000 -18.931 15.528) 24.485 11.332 ( -0.000 -0.739 21.491) 21.503 11.991 ( -0.000 -3.641 4.113) 5.493 12.463 ( 0.000 9.987 -2.259) 10.239 12.507 ( 0.000 2.626 -5.632) 6.214 12.821 ( 0.000 9.472 -22.969) 24.845 13.481 ( 0.000 0.259 -24.527) 24.529 14.049 ( 0.000 9.195 -32.588) 33.860 14.997 ( 0.000 1.146 -6.028) 6.136 15.234 ( 0.000 -3.057 -8.894) 9.405 15.721 ( -0.000 -9.879 7.688) 12.518 15.899 ( 0.000 16.673 12.487) 20.830 16.663 ( -0.000 -13.382 2.803) 13.673 16.818 ( -0.000 -1.284 16.718) 16.768 16.952 ( -0.000 -9.517 8.719) 12.907 17.142 ( 0.000 1.475 -2.208) 2.655 17.218 ( -0.000 -0.537 2.626) 2.680 17.552 ( -0.000 -2.447 2.039) 3.185 17.696 ( -0.000 5.304 21.149) 21.804 17.840 ( -0.000 -8.692 -0.715) 8.721 18.022 ( 0.000 5.554 0.151) 5.556 18.113 ( 0.000 -2.276 -8.629) 8.924 18.345 ( 0.000 0.311 -5.657) 5.666 18.391 ( -0.000 -21.088 2.614) 21.249 18.422 ( 0.000 -0.479 -3.627) 3.659 18.547 ( -0.000 0.077 19.987) 19.987 18.920 ( -0.000 3.011 9.312) 9.787 19.135 ( -0.000 -1.296 4.684) 4.860 19.303 ( 0.000 7.383 -6.363) 9.746 19.644 ( 0.000 -6.393 -14.897) 16.211 20.300 ( 0.000 -1.091 -12.436) 12.484 20.609 ( 0.000 0.724 -33.929) 33.936 20.953 ( -0.000 1.428 8.929) 9.042 21.020 ( 0.000 5.691 6.271) 8.468 21.192 ( -0.000 -12.626 0.552) 12.638 21.201 ( 0.000 12.135 -1.400) 12.215 21.302 ( 0.000 1.013 -4.648) 4.757 21.784 ( -0.000 -8.342 15.762) 17.833 21.846 ( -0.000 -0.484 5.115) 5.138 21.851 ( -0.000 1.820 7.863) 8.071 21.992 ( 0.000 6.418 7.436) 9.822 22.142 ( -0.000 -2.569 22.660) 22.806 22.299 ( -0.000 -4.325 0.740) 4.388 22.450 ( -0.000 -2.867 2.307) 3.680 22.538 ( 0.000 2.796 -3.937) 4.828 22.727 ( -0.000 -7.046 2.114) 7.356 22.765 ( 0.000 10.599 6.406) 12.385 23.387 ( -0.000 -4.509 1.570) 4.774 23.630 ( -0.000 -7.424 -8.911) 11.598 23.723 ( 0.000 2.161 -6.039) 6.414 23.894 ( 0.000 3.601 3.997) 5.380 23.927 ( -0.000 -3.920 -0.415) 3.942 24.155 ( 0.000 4.503 1.121) 4.640 24.558 ( -0.000 0.249 5.000) 5.006 24.877 ( 0.000 0.441 -14.272) 14.279 24.991 ( 0.000 2.445 -6.657) 7.092 25.070 ( 0.000 1.725 -0.774) 1.891 25.285 ( 0.000 0.207 -2.275) 2.285 25.411 ( -0.000 0.570 10.077) 10.094 25.683 ( 0.000 3.068 -5.073) 5.929 25.931 ( 0.000 1.406 -7.346) 7.479 26.511 ( 0.000 3.765 -8.113) 8.944 26.686 ( 0.000 2.310 -1.816) 2.938 26.797 ( -0.000 1.156 3.276) 3.474 26.930 ( -0.000 -0.364 1.658) 1.698 27.068 ( -0.000 -0.500 2.859) 2.902 27.265 ( -0.000 -3.653 4.077) 5.474 28.332 ( 0.000 3.807 -7.880) 8.751 28.476 ( 0.000 2.867 3.025) 4.168 28.890 ( -0.000 -3.435 -4.332) 5.528 29.548 ( -0.000 -3.237 -0.853) 3.347 29.909 ( 0.000 3.919 -4.750) 6.158 30.055 ( 0.000 1.662 -0.809) 1.849 30.069 ( 0.000 2.408 -0.158) 2.413 30.413 ( -0.000 -2.158 11.651) 11.849 30.900 ( -0.000 0.043 1.043) 1.044 31.040 ( 0.000 4.210 -1.108) 4.354 31.214 ( -0.000 -4.211 -2.938) 5.135 31.613 ( -0.000 -2.140 2.033) 2.952 32.282 ( 0.000 0.563 -0.945) 1.100 ======================= Grid point 182 (97/105) ======================= q-point: (-0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( -28.150 0.000 -0.000) 28.150 4.205 ( -19.062 0.000 -0.000) 19.062 4.468 ( 18.705 -0.000 0.000) 18.705 5.106 ( -3.383 0.000 -0.000) 3.383 5.702 ( 3.467 -0.000 0.000) 3.467 5.990 ( 9.640 -0.000 0.000) 9.640 7.447 ( -54.516 0.000 -0.000) 54.516 7.733 ( 7.648 -0.000 0.000) 7.648 8.133 ( -9.049 0.000 -0.000) 9.049 8.159 ( 2.554 -0.000 0.000) 2.554 8.320 ( 1.644 -0.000 0.000) 1.644 8.643 ( -2.490 0.000 -0.000) 2.490 9.161 ( 0.573 -0.000 0.000) 0.573 9.693 ( 6.793 -0.000 0.000) 6.793 9.846 ( 31.099 -0.000 0.000) 31.099 10.859 ( -46.335 0.000 -0.000) 46.335 11.537 ( 28.613 -0.000 0.000) 28.613 11.548 ( 7.981 -0.000 0.000) 7.981 12.573 ( -25.938 0.000 -0.000) 25.938 12.719 ( 2.244 -0.000 0.000) 2.244 13.242 ( -2.382 0.000 -0.000) 2.382 13.425 ( -5.705 0.000 -0.000) 5.705 13.579 ( -6.387 0.000 -0.000) 6.387 13.634 ( -0.219 0.000 -0.000) 0.219 14.433 ( 13.930 -0.000 0.000) 13.930 15.182 ( 16.615 -0.000 0.000) 16.615 15.975 ( -7.185 0.000 -0.000) 7.185 16.289 ( -25.305 0.000 -0.000) 25.305 16.541 ( 0.546 -0.000 0.000) 0.546 16.754 ( -9.313 0.000 -0.000) 9.313 16.820 ( 3.196 -0.000 0.000) 3.196 17.031 ( 3.028 -0.000 0.000) 3.028 17.448 ( 13.466 -0.000 0.000) 13.466 17.465 ( 5.894 -0.000 0.000) 5.894 17.564 ( 8.515 -0.000 0.000) 8.515 17.631 ( -5.527 0.000 -0.000) 5.527 17.660 ( -17.008 0.000 -0.000) 17.008 18.145 ( -12.348 0.000 -0.000) 12.348 18.172 ( 3.685 -0.000 0.000) 3.685 18.428 ( -1.487 0.000 -0.000) 1.487 18.447 ( 2.309 -0.000 0.000) 2.309 18.771 ( -34.879 0.000 -0.000) 34.879 19.164 ( 8.201 -0.000 0.000) 8.201 19.192 ( -3.527 0.000 -0.000) 3.527 19.311 ( -0.606 0.000 -0.000) 0.606 19.809 ( -10.329 0.000 -0.000) 10.329 19.920 ( 18.464 -0.000 0.000) 18.464 20.175 ( -1.327 0.000 -0.000) 1.327 20.532 ( -4.776 0.000 -0.000) 4.776 21.036 ( 14.168 -0.000 0.000) 14.168 21.161 ( 9.444 -0.000 0.000) 9.444 21.224 ( -13.262 0.000 -0.000) 13.262 21.428 ( -1.930 0.000 -0.000) 1.930 21.697 ( 5.930 -0.000 0.000) 5.930 21.730 ( 8.528 -0.000 0.000) 8.528 21.748 ( -2.605 0.000 -0.000) 2.605 22.241 ( 5.584 -0.000 0.000) 5.584 22.432 ( -9.609 0.000 -0.000) 9.609 22.451 ( 4.335 -0.000 0.000) 4.335 22.563 ( -10.275 0.000 -0.000) 10.275 22.799 ( -14.816 0.000 -0.000) 14.816 22.824 ( -5.215 0.000 -0.000) 5.215 23.269 ( -12.251 0.000 -0.000) 12.251 23.382 ( 8.144 -0.000 0.000) 8.144 23.555 ( -1.265 0.000 -0.000) 1.265 23.682 ( 13.789 -0.000 0.000) 13.789 23.711 ( 7.416 -0.000 0.000) 7.416 23.871 ( 3.548 -0.000 0.000) 3.548 24.261 ( 19.753 -0.000 0.000) 19.753 24.368 ( 37.176 -0.000 0.000) 37.176 24.485 ( -13.535 0.000 -0.000) 13.535 24.652 ( 10.058 -0.000 0.000) 10.058 24.747 ( 7.114 -0.000 0.000) 7.114 24.868 ( -6.547 0.000 -0.000) 6.547 25.264 ( 2.408 -0.000 0.000) 2.408 25.277 ( -2.083 0.000 -0.000) 2.083 25.447 ( 9.135 -0.000 0.000) 9.135 25.653 ( 4.506 -0.000 0.000) 4.506 26.698 ( 3.741 -0.000 0.000) 3.741 26.734 ( -0.025 0.000 -0.000) 0.025 26.814 ( 5.768 -0.000 0.000) 5.768 26.901 ( 2.322 -0.000 0.000) 2.322 27.648 ( -8.099 0.000 -0.000) 8.099 28.514 ( 0.387 -0.000 0.000) 0.387 28.952 ( -2.027 0.000 -0.000) 2.027 29.269 ( -11.709 0.000 -0.000) 11.709 29.724 ( -2.472 0.000 -0.000) 2.472 30.001 ( 4.615 -0.000 0.000) 4.615 30.182 ( -2.516 0.000 -0.000) 2.516 30.251 ( -5.379 0.000 -0.000) 5.379 30.287 ( -2.263 0.000 -0.000) 2.263 30.770 ( 7.443 -0.000 0.000) 7.443 31.001 ( -4.857 0.000 -0.000) 4.857 31.111 ( 1.536 -0.000 0.000) 1.536 31.862 ( -5.811 0.000 -0.000) 5.811 32.172 ( 3.870 -0.000 0.000) 3.870 ======================= Grid point 184 (98/105) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -0.000 -0.000 0.845) 0.845 3.230 ( 0.000 0.000 -3.115) 3.115 4.983 ( -0.000 -0.000 2.023) 2.023 5.074 ( -0.000 -0.000 1.500) 1.500 5.641 ( 0.000 0.000 -12.922) 12.922 6.225 ( 0.000 0.000 -5.281) 5.281 7.246 ( 0.000 0.000 -12.520) 12.520 7.483 ( -0.000 -0.000 38.760) 38.760 7.505 ( 0.000 0.000 -69.171) 69.171 7.743 ( 0.000 0.000 -9.710) 9.710 8.047 ( -0.000 -0.000 35.083) 35.083 8.427 ( -0.000 -0.000 7.064) 7.064 8.447 ( -0.000 -0.000 3.999) 3.999 9.342 ( 0.000 0.000 -11.840) 11.840 10.101 ( -0.000 -0.000 8.525) 8.525 10.645 ( 0.000 0.000 -27.655) 27.655 11.259 ( -0.000 -0.000 5.939) 5.939 11.325 ( 0.000 0.000 -49.970) 49.970 11.814 ( -0.000 -0.000 25.395) 25.395 12.287 ( 0.000 0.000 -11.472) 11.472 12.493 ( 0.000 0.000 -9.198) 9.198 12.612 ( -0.000 -0.000 27.021) 27.021 13.534 ( 0.000 0.000 -24.866) 24.866 13.814 ( -0.000 -0.000 14.348) 14.348 14.824 ( 0.000 0.000 -9.896) 9.896 15.009 ( 0.000 0.000 -7.167) 7.167 15.741 ( -0.000 -0.000 5.706) 5.706 16.254 ( -0.000 -0.000 1.356) 1.356 16.648 ( -0.000 -0.000 3.852) 3.852 16.906 ( -0.000 -0.000 9.227) 9.227 17.122 ( -0.000 -0.000 0.132) 0.132 17.203 ( -0.000 -0.000 2.022) 2.022 17.303 ( -0.000 -0.000 6.118) 6.118 17.510 ( 0.000 0.000 -3.449) 3.449 17.653 ( 0.000 0.000 -1.450) 1.450 17.903 ( 0.000 0.000 -2.652) 2.652 18.080 ( 0.000 0.000 -4.760) 4.760 18.182 ( -0.000 -0.000 15.343) 15.343 18.320 ( -0.000 -0.000 9.625) 9.625 18.331 ( -0.000 -0.000 21.657) 21.657 18.374 ( 0.000 0.000 -4.232) 4.232 18.974 ( 0.000 0.000 -15.284) 15.284 19.036 ( -0.000 -0.000 18.576) 18.576 19.188 ( 0.000 0.000 -0.129) 0.129 19.194 ( 0.000 0.000 -9.815) 9.815 19.483 ( -0.000 -0.000 16.411) 16.411 19.893 ( 0.000 0.000 -35.822) 35.822 19.909 ( 0.000 0.000 -14.868) 14.868 20.955 ( -0.000 -0.000 3.314) 3.314 20.967 ( 0.000 0.000 -19.225) 19.225 21.216 ( -0.000 -0.000 7.703) 7.703 21.423 ( -0.000 -0.000 21.338) 21.338 21.707 ( -0.000 -0.000 9.199) 9.199 21.837 ( 0.000 0.000 -6.390) 6.390 21.935 ( -0.000 -0.000 8.381) 8.381 22.071 ( -0.000 -0.000 16.829) 16.829 22.108 ( 0.000 0.000 -1.572) 1.572 22.361 ( 0.000 0.000 -1.124) 1.124 22.361 ( -0.000 -0.000 5.844) 5.844 22.527 ( -0.000 -0.000 9.830) 9.830 22.684 ( -0.000 -0.000 9.373) 9.373 22.743 ( -0.000 -0.000 12.758) 12.758 23.076 ( -0.000 -0.000 7.914) 7.914 23.296 ( 0.000 0.000 -10.422) 10.422 23.400 ( -0.000 -0.000 3.966) 3.966 23.556 ( 0.000 0.000 -11.269) 11.269 23.870 ( 0.000 0.000 -0.031) 0.031 24.024 ( -0.000 -0.000 4.389) 4.389 24.185 ( 0.000 0.000 -3.075) 3.075 24.540 ( 0.000 0.000 -18.443) 18.443 24.761 ( -0.000 -0.000 13.538) 13.538 24.786 ( 0.000 0.000 -13.068) 13.068 25.093 ( -0.000 -0.000 0.309) 0.309 25.244 ( 0.000 0.000 -1.260) 1.260 25.503 ( 0.000 0.000 -4.799) 4.799 25.562 ( 0.000 0.000 -7.742) 7.742 25.820 ( 0.000 0.000 -0.252) 0.252 26.315 ( 0.000 0.000 -13.768) 13.768 26.684 ( 0.000 0.000 -0.803) 0.803 26.845 ( -0.000 -0.000 0.173) 0.173 26.962 ( -0.000 -0.000 0.202) 0.202 27.119 ( -0.000 -0.000 3.468) 3.468 27.381 ( -0.000 -0.000 10.215) 10.215 28.149 ( 0.000 0.000 -12.981) 12.981 28.602 ( -0.000 -0.000 6.380) 6.380 28.731 ( 0.000 0.000 -7.256) 7.256 29.490 ( 0.000 0.000 -1.507) 1.507 29.857 ( 0.000 0.000 -2.197) 2.197 30.036 ( 0.000 0.000 -2.209) 2.209 30.092 ( 0.000 0.000 -1.100) 1.100 30.650 ( -0.000 -0.000 11.148) 11.148 30.927 ( -0.000 -0.000 1.170) 1.170 31.069 ( 0.000 0.000 -1.674) 1.674 31.073 ( 0.000 0.000 -4.037) 4.037 31.655 ( -0.000 -0.000 3.562) 3.562 32.261 ( 0.000 0.000 -1.452) 1.452 ======================= Grid point 189 (99/105) ======================= q-point: ( 0.46 -0.46 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -19.967 1.557 -0.000) 20.027 3.519 ( -15.378 -2.589 -0.000) 15.595 4.894 ( -12.476 3.630 -0.000) 12.993 4.956 ( 6.980 0.181 0.000) 6.982 5.408 ( -18.875 23.433 0.000) 30.090 5.818 ( 3.649 6.820 0.000) 7.735 6.264 ( 0.858 0.261 0.000) 0.897 6.504 ( -35.767 37.736 0.000) 51.993 7.938 ( 3.008 0.951 0.000) 3.155 8.188 ( 0.706 4.918 0.000) 4.969 8.330 ( 0.334 -0.088 0.000) 0.345 8.874 ( -5.734 51.145 0.000) 51.466 9.491 ( 0.891 -13.934 -0.000) 13.962 9.757 ( 20.066 -8.129 0.000) 21.650 10.013 ( 8.182 -20.284 -0.000) 21.872 10.746 ( 6.806 -21.042 -0.000) 22.116 10.960 ( -32.097 0.054 -0.000) 32.098 11.491 ( -30.756 2.598 -0.000) 30.866 11.915 ( 0.176 -9.299 -0.000) 9.301 12.563 ( 3.925 0.671 0.000) 3.982 12.651 ( -18.383 8.855 0.000) 20.404 12.900 ( 2.325 28.977 0.000) 29.070 13.936 ( 8.776 -16.465 -0.000) 18.658 14.216 ( 20.397 3.867 0.000) 20.761 14.951 ( 8.161 -7.458 -0.000) 11.055 15.512 ( 4.101 13.323 0.000) 13.940 15.549 ( -12.004 2.282 -0.000) 12.219 15.720 ( -1.046 0.956 0.000) 1.417 16.486 ( 2.635 -3.364 -0.000) 4.273 16.681 ( -3.723 -14.510 -0.000) 14.980 16.911 ( -2.775 -16.947 -0.000) 17.173 17.113 ( 4.498 2.742 0.000) 5.268 17.398 ( -7.006 6.479 0.000) 9.542 17.507 ( -9.402 1.806 -0.000) 9.574 17.538 ( -9.377 -1.019 -0.000) 9.432 17.852 ( 3.961 -6.605 -0.000) 7.702 17.960 ( 8.031 1.881 0.000) 8.248 18.161 ( 13.423 -9.874 -0.000) 16.664 18.231 ( 4.833 4.217 0.000) 6.414 18.374 ( -13.000 12.342 0.000) 17.926 18.443 ( -1.234 -18.884 -0.000) 18.924 18.490 ( 1.038 -10.281 -0.000) 10.334 18.811 ( -2.407 -3.475 -0.000) 4.228 19.179 ( -10.088 -2.969 -0.000) 10.516 19.306 ( 3.939 9.705 0.000) 10.474 20.081 ( -19.142 -4.943 -0.000) 19.770 20.327 ( 10.786 11.962 0.000) 16.107 20.484 ( 38.423 -2.774 0.000) 38.523 20.689 ( 23.250 -1.302 0.000) 23.286 20.909 ( -6.380 1.475 -0.000) 6.549 21.284 ( -3.802 -9.177 -0.000) 9.933 21.336 ( 5.276 -1.981 0.000) 5.636 21.367 ( 2.416 1.973 0.000) 3.119 21.584 ( -13.985 -0.880 -0.000) 14.013 21.754 ( -3.463 5.231 0.000) 6.274 21.838 ( 3.760 0.722 0.000) 3.829 21.861 ( -7.845 2.248 -0.000) 8.161 22.174 ( -18.329 3.386 -0.000) 18.639 22.305 ( -2.349 -5.549 -0.000) 6.025 22.433 ( 0.660 -1.575 -0.000) 1.707 22.566 ( 4.910 9.286 0.000) 10.504 22.603 ( -0.795 -0.084 -0.000) 0.800 22.873 ( -10.907 -5.828 -0.000) 12.367 23.396 ( -2.178 -2.680 -0.000) 3.453 23.712 ( 0.460 -12.695 -0.000) 12.704 23.790 ( 1.687 8.107 0.000) 8.281 23.906 ( -4.437 2.145 0.000) 4.929 23.928 ( 1.448 -0.899 -0.000) 1.704 24.122 ( -0.705 2.119 0.000) 2.233 24.537 ( -2.785 0.107 -0.000) 2.787 24.991 ( 6.263 6.010 0.000) 8.680 25.007 ( 6.701 -0.225 0.000) 6.705 25.160 ( -2.583 0.908 -0.000) 2.738 25.192 ( 10.368 -1.053 0.000) 10.422 25.251 ( -2.454 -0.374 -0.000) 2.483 25.731 ( 1.203 4.435 0.000) 4.596 25.746 ( 25.448 1.293 0.000) 25.481 26.172 ( 29.436 3.631 0.000) 29.659 26.730 ( -0.622 0.743 0.000) 0.969 26.861 ( 1.158 -0.536 -0.000) 1.276 26.920 ( -3.406 0.701 -0.000) 3.477 27.005 ( 3.284 1.004 0.000) 3.434 27.337 ( -9.273 -4.016 -0.000) 10.105 28.437 ( -0.319 5.183 0.000) 5.193 28.599 ( -15.955 2.782 -0.000) 16.196 28.942 ( -0.673 -3.779 -0.000) 3.839 29.600 ( -4.014 -3.269 -0.000) 5.177 29.995 ( -0.977 7.985 0.000) 8.045 30.072 ( -1.417 1.940 0.000) 2.402 30.109 ( -2.842 -0.532 -0.000) 2.892 30.261 ( -0.466 -4.061 -0.000) 4.088 30.896 ( -0.822 0.102 -0.000) 0.828 31.006 ( 4.863 4.726 0.000) 6.781 31.214 ( 2.256 -5.000 -0.000) 5.485 31.648 ( -5.061 -1.810 -0.000) 5.375 32.277 ( 1.593 0.558 0.000) 1.688 ======================= Grid point 200 (100/105) ======================= q-point: (-0.36 0.53 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -18.495 0.000 2.284) 18.635 3.442 ( -13.094 0.000 -4.229) 13.760 4.942 ( -3.059 0.000 2.636) 4.037 4.982 ( 5.948 -0.000 1.995) 6.273 5.638 ( 1.471 -0.000 0.455) 1.540 6.245 ( 4.085 -0.000 -1.379) 4.312 6.407 ( -13.471 -0.000 43.531) 45.568 7.253 ( -41.339 0.000 28.018) 49.939 7.869 ( 3.728 0.000 -7.908) 8.743 8.291 ( 3.216 -0.000 4.561) 5.581 8.340 ( 0.695 -0.000 1.194) 1.381 8.667 ( 4.935 0.000 -34.850) 35.198 8.961 ( -12.102 0.000 -53.557) 54.907 9.538 ( 11.331 -0.000 -6.460) 13.043 9.898 ( 7.024 -0.000 9.391) 11.727 10.786 ( -21.966 0.000 -4.916) 22.509 10.964 ( 4.310 -0.000 21.388) 21.818 11.680 ( -22.905 0.000 0.987) 22.926 11.972 ( -2.720 -0.000 17.850) 18.056 12.466 ( 2.073 0.000 -14.885) 15.029 12.741 ( -14.336 0.000 -0.700) 14.353 12.996 ( -9.752 0.000 -39.787) 40.964 13.474 ( 6.015 -0.000 4.579) 7.560 13.969 ( 15.830 0.000 -21.643) 26.814 14.927 ( 6.054 -0.000 0.718) 6.097 15.319 ( -8.892 0.000 -15.343) 17.734 15.644 ( -3.536 0.000 2.700) 4.449 16.011 ( 10.825 -0.000 9.910) 14.676 16.415 ( 3.782 -0.000 4.516) 5.891 16.802 ( -4.586 -0.000 7.299) 8.620 16.827 ( 6.295 -0.000 15.307) 16.551 17.175 ( -2.001 -0.000 4.905) 5.297 17.402 ( -15.552 0.000 -2.056) 15.687 17.565 ( -1.388 -0.000 5.431) 5.605 17.585 ( 5.651 0.000 -6.990) 8.988 17.782 ( -2.098 -0.000 15.292) 15.435 17.817 ( 11.359 -0.000 -10.357) 15.372 18.052 ( 21.288 -0.000 -9.176) 23.182 18.176 ( -0.630 -0.000 5.147) 5.185 18.397 ( -6.901 0.000 -4.751) 8.378 18.521 ( 5.105 -0.000 18.573) 19.262 18.564 ( -17.811 0.000 0.217) 17.812 18.946 ( 2.884 -0.000 18.418) 18.643 19.234 ( -13.669 0.000 7.255) 15.475 19.379 ( 0.573 0.000 -3.394) 3.442 19.840 ( -17.588 0.000 -12.602) 21.637 19.991 ( 18.256 0.000 -26.209) 31.940 20.611 ( 32.796 -0.000 10.471) 34.427 20.734 ( -1.407 0.000 -19.425) 19.476 21.084 ( -4.465 -0.000 13.541) 14.258 21.102 ( -6.582 0.000 -4.560) 8.007 21.348 ( 2.576 0.000 -4.961) 5.590 21.402 ( 2.588 -0.000 7.874) 8.288 21.470 ( -4.181 -0.000 11.598) 12.329 21.842 ( 4.890 -0.000 4.741) 6.811 21.958 ( 0.937 -0.000 1.926) 2.142 22.157 ( -5.297 -0.000 16.902) 17.713 22.239 ( -10.616 0.000 -1.083) 10.671 22.292 ( -5.608 -0.000 6.231) 8.383 22.420 ( -1.768 0.000 1.489) 2.311 22.518 ( 5.774 -0.000 -4.162) 7.118 22.663 ( -2.024 0.000 -0.319) 2.049 22.952 ( -4.783 -0.000 8.612) 9.850 23.433 ( -7.737 0.000 3.876) 8.654 23.468 ( 2.021 0.000 -6.823) 7.117 23.736 ( 4.515 0.000 -11.410) 12.271 23.875 ( -0.047 0.000 -0.450) 0.452 23.990 ( -5.035 0.000 4.914) 7.036 24.196 ( 0.068 -0.000 1.460) 1.462 24.585 ( -2.036 -0.000 4.492) 4.932 24.817 ( 5.266 0.000 -14.369) 15.303 25.046 ( 6.052 -0.000 -0.212) 6.056 25.048 ( -2.265 0.000 -8.692) 8.982 25.169 ( 10.494 -0.000 -0.728) 10.519 25.419 ( -0.231 -0.000 9.377) 9.380 25.703 ( 1.486 0.000 -6.310) 6.483 25.707 ( 22.493 -0.000 -4.854) 23.011 26.185 ( 26.184 -0.000 -2.725) 26.326 26.705 ( 0.658 0.000 -1.741) 1.861 26.909 ( 2.120 -0.000 3.957) 4.489 26.933 ( -3.268 0.000 -0.309) 3.283 27.050 ( 0.774 -0.000 3.255) 3.346 27.311 ( -7.656 0.000 2.073) 7.932 28.399 ( -1.444 0.000 -8.670) 8.790 28.634 ( -13.122 0.000 0.853) 13.150 28.851 ( -0.056 0.000 -4.517) 4.518 29.567 ( -4.981 0.000 -0.046) 4.982 29.977 ( -3.511 0.000 -5.190) 6.266 30.084 ( -1.188 0.000 -1.510) 1.922 30.103 ( -0.120 -0.000 0.241) 0.269 30.396 ( -0.835 -0.000 12.771) 12.799 30.907 ( -0.648 -0.000 0.838) 1.059 31.065 ( 7.010 -0.000 -1.896) 7.262 31.113 ( 0.056 0.000 -1.849) 1.850 31.648 ( -5.069 0.000 1.733) 5.357 32.272 ( 1.548 -0.000 -0.904) 1.793 ======================= Grid point 214 (101/105) ======================= q-point: (-0.39 0.39 -0.61) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -26.894 0.000 -0.000) 26.894 3.828 ( -19.848 0.000 -0.000) 19.848 4.771 ( 12.975 -0.000 0.000) 12.975 5.028 ( -4.944 0.000 -0.000) 4.944 5.763 ( 3.347 -0.000 0.000) 3.347 6.150 ( 7.039 -0.000 0.000) 7.039 6.414 ( -49.582 0.000 -0.000) 49.582 7.750 ( -33.391 0.000 -0.000) 33.391 7.856 ( 5.613 -0.000 0.000) 5.613 8.203 ( 2.133 -0.000 0.000) 2.133 8.326 ( -0.278 0.000 -0.000) 0.278 8.745 ( 12.977 -0.000 0.000) 12.977 9.301 ( 14.159 -0.000 0.000) 14.159 9.687 ( -3.697 0.000 -0.000) 3.697 10.073 ( -30.207 0.000 -0.000) 30.207 10.342 ( 17.858 -0.000 0.000) 17.858 11.652 ( 2.529 -0.000 0.000) 2.529 11.721 ( -29.913 0.000 -0.000) 29.913 12.331 ( 16.533 -0.000 0.000) 16.533 12.379 ( -32.161 0.000 -0.000) 32.161 13.054 ( -15.744 0.000 -0.000) 15.744 13.383 ( 0.234 -0.000 0.000) 0.234 13.464 ( -2.564 0.000 -0.000) 2.564 13.815 ( 18.699 -0.000 0.000) 18.699 14.680 ( 11.746 -0.000 0.000) 11.746 15.518 ( 17.801 -0.000 0.000) 17.801 15.810 ( -10.478 0.000 -0.000) 10.478 15.881 ( -17.384 0.000 -0.000) 17.384 16.452 ( -6.885 0.000 -0.000) 6.885 16.630 ( -3.981 0.000 -0.000) 3.981 16.793 ( -4.242 0.000 -0.000) 4.242 17.068 ( 2.457 -0.000 0.000) 2.457 17.553 ( -3.307 0.000 -0.000) 3.307 17.590 ( 6.455 -0.000 0.000) 6.455 17.652 ( -6.421 0.000 -0.000) 6.421 17.677 ( 14.003 -0.000 0.000) 14.003 17.733 ( 14.475 -0.000 0.000) 14.475 18.111 ( 8.901 -0.000 0.000) 8.901 18.148 ( -3.247 0.000 -0.000) 3.247 18.150 ( -27.986 0.000 -0.000) 27.986 18.460 ( 1.815 -0.000 0.000) 1.815 18.560 ( 9.240 -0.000 0.000) 9.240 18.949 ( -19.354 0.000 -0.000) 19.354 19.300 ( 6.716 -0.000 0.000) 6.716 19.328 ( -5.064 0.000 -0.000) 5.064 19.803 ( 18.986 -0.000 0.000) 18.986 20.263 ( 8.662 -0.000 0.000) 8.662 20.287 ( 20.069 -0.000 0.000) 20.069 20.349 ( -14.094 0.000 -0.000) 14.094 21.035 ( -6.716 0.000 -0.000) 6.716 21.268 ( 2.998 -0.000 0.000) 2.998 21.269 ( 9.776 -0.000 0.000) 9.776 21.340 ( -7.728 0.000 -0.000) 7.728 21.706 ( -2.153 0.000 -0.000) 2.153 21.792 ( -1.601 0.000 -0.000) 1.601 21.842 ( 7.715 -0.000 0.000) 7.715 22.153 ( -17.662 0.000 -0.000) 17.662 22.335 ( 2.658 -0.000 0.000) 2.658 22.377 ( -9.124 0.000 -0.000) 9.124 22.452 ( -3.465 0.000 -0.000) 3.465 22.622 ( -2.797 0.000 -0.000) 2.797 22.720 ( -4.492 0.000 -0.000) 4.492 23.002 ( -14.457 0.000 -0.000) 14.457 23.492 ( 3.600 -0.000 0.000) 3.600 23.504 ( -4.522 0.000 -0.000) 4.522 23.851 ( 5.869 -0.000 0.000) 5.869 23.877 ( 6.288 -0.000 0.000) 6.288 23.885 ( -0.189 0.000 -0.000) 0.189 24.246 ( -9.711 0.000 -0.000) 9.711 24.571 ( 3.965 -0.000 0.000) 3.965 24.864 ( 9.922 -0.000 0.000) 9.922 24.881 ( 6.970 -0.000 0.000) 6.970 24.898 ( 15.269 -0.000 0.000) 15.269 25.110 ( 34.177 -0.000 0.000) 34.177 25.237 ( 1.165 -0.000 0.000) 1.165 25.283 ( -0.495 0.000 -0.000) 0.495 25.713 ( 20.317 -0.000 0.000) 20.317 25.732 ( 3.473 -0.000 0.000) 3.473 26.735 ( 0.113 -0.000 0.000) 0.113 26.778 ( 4.254 -0.000 0.000) 4.254 26.927 ( 5.659 -0.000 0.000) 5.659 26.948 ( 1.895 -0.000 0.000) 1.895 27.481 ( -9.457 0.000 -0.000) 9.457 28.508 ( -0.739 0.000 -0.000) 0.739 28.916 ( -1.467 0.000 -0.000) 1.467 28.977 ( -18.205 0.000 -0.000) 18.205 29.654 ( -4.562 0.000 -0.000) 4.562 30.070 ( 2.486 -0.000 0.000) 2.486 30.134 ( -2.412 0.000 -0.000) 2.412 30.160 ( -4.065 0.000 -0.000) 4.065 30.240 ( -2.533 0.000 -0.000) 2.533 30.926 ( 8.664 -0.000 0.000) 8.664 30.930 ( -2.630 0.000 -0.000) 2.630 31.129 ( 0.438 -0.000 0.000) 0.438 31.746 ( -6.285 0.000 -0.000) 6.285 32.238 ( 2.969 -0.000 0.000) 2.969 ======================= Grid point 221 (102/105) ======================= q-point: ( 0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 0.000 3.116 0.000) 3.116 3.361 ( -0.000 -1.004 -0.000) 1.004 4.726 ( 0.000 12.502 0.000) 12.502 5.024 ( -0.000 -0.235 -0.000) 0.235 5.257 ( 0.000 14.682 0.000) 14.682 5.970 ( 0.000 47.887 0.000) 47.887 6.000 ( -0.000 -3.036 -0.000) 3.036 6.278 ( 0.000 1.574 0.000) 1.574 7.968 ( 0.000 1.470 0.000) 1.470 8.195 ( 0.000 5.440 0.000) 5.440 8.335 ( 0.000 0.251 0.000) 0.251 8.850 ( 0.000 69.760 0.000) 69.760 9.497 ( -0.000 -17.331 -0.000) 17.331 10.020 ( -0.000 -2.432 -0.000) 2.432 10.198 ( -0.000 -28.429 -0.000) 28.429 10.530 ( -0.000 -6.970 -0.000) 6.970 10.860 ( -0.000 -27.452 -0.000) 27.452 11.049 ( -0.000 -1.328 -0.000) 1.328 11.922 ( -0.000 -12.024 -0.000) 12.024 12.469 ( 0.000 13.450 0.000) 13.450 12.584 ( 0.000 0.958 0.000) 0.958 12.931 ( 0.000 29.604 0.000) 29.604 14.042 ( -0.000 -15.971 -0.000) 15.971 14.457 ( 0.000 8.936 0.000) 8.936 15.033 ( -0.000 -7.728 -0.000) 7.728 15.406 ( -0.000 -0.961 -0.000) 0.961 15.527 ( 0.000 3.717 0.000) 3.717 15.736 ( 0.000 10.279 0.000) 10.279 16.534 ( 0.000 0.993 0.000) 0.993 16.624 ( -0.000 -20.536 -0.000) 20.536 16.884 ( -0.000 -17.424 -0.000) 17.424 17.172 ( 0.000 3.042 0.000) 3.042 17.319 ( 0.000 5.119 0.000) 5.119 17.331 ( 0.000 2.043 0.000) 2.043 17.515 ( -0.000 -2.346 -0.000) 2.346 17.886 ( -0.000 -8.907 -0.000) 8.907 18.054 ( 0.000 8.753 0.000) 8.753 18.190 ( 0.000 7.366 0.000) 7.366 18.300 ( 0.000 5.647 0.000) 5.647 18.361 ( 0.000 4.418 0.000) 4.418 18.387 ( -0.000 -30.701 -0.000) 30.701 18.516 ( -0.000 -3.366 -0.000) 3.366 18.804 ( -0.000 -1.275 -0.000) 1.275 19.064 ( -0.000 -3.606 -0.000) 3.606 19.377 ( 0.000 8.771 0.000) 8.771 19.831 ( -0.000 -4.522 -0.000) 4.522 20.444 ( 0.000 13.525 0.000) 13.525 20.819 ( 0.000 1.191 0.000) 1.191 20.958 ( 0.000 1.204 0.000) 1.204 21.105 ( -0.000 -1.896 -0.000) 1.896 21.176 ( -0.000 -7.263 -0.000) 7.263 21.256 ( -0.000 -10.796 -0.000) 10.796 21.435 ( 0.000 5.394 0.000) 5.394 21.495 ( -0.000 -7.293 -0.000) 7.293 21.627 ( 0.000 3.748 0.000) 3.748 21.812 ( 0.000 3.894 0.000) 3.894 21.878 ( -0.000 -6.884 -0.000) 6.884 21.898 ( 0.000 9.764 0.000) 9.764 22.286 ( -0.000 -7.384 -0.000) 7.384 22.450 ( -0.000 -2.135 -0.000) 2.135 22.591 ( 0.000 0.098 0.000) 0.098 22.679 ( 0.000 11.319 0.000) 11.319 22.709 ( -0.000 -4.896 -0.000) 4.896 23.370 ( -0.000 -4.937 -0.000) 4.937 23.712 ( -0.000 -13.114 -0.000) 13.114 23.812 ( 0.000 7.217 0.000) 7.217 23.849 ( 0.000 3.442 0.000) 3.442 23.941 ( -0.000 -0.441 -0.000) 0.441 24.122 ( 0.000 2.277 0.000) 2.277 24.507 ( -0.000 -0.134 -0.000) 0.134 25.050 ( 0.000 5.863 0.000) 5.863 25.092 ( -0.000 -0.597 -0.000) 0.597 25.131 ( 0.000 1.478 0.000) 1.478 25.197 ( 0.000 0.234 0.000) 0.234 25.311 ( -0.000 -0.104 -0.000) 0.104 25.741 ( 0.000 4.169 0.000) 4.169 26.014 ( 0.000 1.971 0.000) 1.971 26.598 ( 0.000 3.974 0.000) 3.974 26.723 ( 0.000 1.610 0.000) 1.610 26.741 ( 0.000 2.411 0.000) 2.411 26.903 ( -0.000 -2.651 -0.000) 2.651 27.037 ( 0.000 0.969 0.000) 0.969 27.227 ( -0.000 -3.922 -0.000) 3.922 28.428 ( 0.000 2.090 0.000) 2.090 28.433 ( 0.000 4.911 0.000) 4.911 28.937 ( -0.000 -3.557 -0.000) 3.557 29.558 ( -0.000 -3.224 -0.000) 3.224 29.983 ( 0.000 8.702 0.000) 8.702 30.063 ( 0.000 2.046 0.000) 2.046 30.077 ( 0.000 0.026 0.000) 0.026 30.256 ( -0.000 -4.538 -0.000) 4.538 30.889 ( -0.000 -0.038 -0.000) 0.038 31.052 ( 0.000 4.737 0.000) 4.737 31.245 ( -0.000 -4.579 -0.000) 4.579 31.592 ( -0.000 -2.434 -0.000) 2.434 32.292 ( 0.000 0.587 0.000) 0.587 ======================= Grid point 233 (103/105) ======================= q-point: (-0.42 0.58 -0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -0.000 -0.000 2.533) 2.533 3.308 ( 0.000 0.000 -3.591) 3.591 4.914 ( -0.000 -0.000 5.480) 5.480 5.039 ( -0.000 -0.000 1.548) 1.548 5.680 ( -0.000 -0.000 9.430) 9.430 6.285 ( 0.000 0.000 -1.075) 1.075 6.287 ( -0.000 -0.000 42.914) 42.914 6.774 ( -0.000 -0.000 26.374) 26.374 7.910 ( 0.000 0.000 -6.270) 6.270 8.324 ( -0.000 -0.000 6.031) 6.031 8.353 ( -0.000 -0.000 1.662) 1.662 8.731 ( 0.000 0.000 -47.531) 47.531 8.856 ( 0.000 0.000 -57.594) 57.594 9.659 ( 0.000 0.000 -19.685) 19.685 9.954 ( -0.000 -0.000 4.872) 4.872 10.630 ( -0.000 -0.000 14.405) 14.405 11.002 ( -0.000 -0.000 21.898) 21.898 11.319 ( -0.000 -0.000 22.191) 22.191 11.963 ( -0.000 -0.000 12.630) 12.630 12.504 ( 0.000 0.000 -8.371) 8.371 12.591 ( 0.000 0.000 -1.680) 1.680 12.911 ( 0.000 0.000 -61.569) 61.569 13.524 ( -0.000 -0.000 10.870) 10.870 14.162 ( 0.000 0.000 -31.714) 31.714 14.984 ( 0.000 0.000 -3.294) 3.294 15.221 ( 0.000 0.000 -12.149) 12.149 15.616 ( -0.000 -0.000 6.078) 6.078 16.125 ( -0.000 -0.000 10.392) 10.392 16.475 ( -0.000 -0.000 10.994) 10.994 16.748 ( -0.000 -0.000 5.418) 5.418 16.886 ( -0.000 -0.000 24.534) 24.534 17.156 ( 0.000 0.000 -3.141) 3.141 17.227 ( 0.000 0.000 -0.294) 0.294 17.562 ( -0.000 -0.000 6.124) 6.124 17.649 ( 0.000 0.000 -8.384) 8.384 17.753 ( -0.000 -0.000 23.381) 23.381 18.036 ( 0.000 0.000 -6.081) 6.081 18.086 ( 0.000 0.000 -3.546) 3.546 18.251 ( 0.000 0.000 -0.951) 0.951 18.333 ( 0.000 0.000 -9.504) 9.504 18.425 ( 0.000 0.000 -0.968) 0.968 18.564 ( -0.000 -0.000 18.998) 18.998 18.960 ( -0.000 -0.000 14.224) 14.224 19.120 ( -0.000 -0.000 6.495) 6.495 19.378 ( 0.000 0.000 -7.572) 7.572 19.580 ( 0.000 0.000 -16.992) 16.992 20.268 ( 0.000 0.000 -19.755) 19.755 20.623 ( 0.000 0.000 -33.586) 33.586 20.999 ( 0.000 0.000 -6.200) 6.200 21.027 ( -0.000 -0.000 15.365) 15.365 21.059 ( -0.000 -0.000 7.106) 7.106 21.311 ( 0.000 0.000 -12.397) 12.397 21.501 ( -0.000 -0.000 9.199) 9.199 21.517 ( -0.000 -0.000 24.992) 24.992 21.831 ( -0.000 -0.000 5.644) 5.644 21.894 ( -0.000 -0.000 3.605) 3.605 22.116 ( -0.000 -0.000 22.847) 22.847 22.120 ( -0.000 -0.000 0.443) 0.443 22.214 ( -0.000 -0.000 7.549) 7.549 22.418 ( -0.000 -0.000 0.898) 0.898 22.585 ( -0.000 -0.000 0.600) 0.600 22.645 ( 0.000 0.000 -1.489) 1.489 22.912 ( -0.000 -0.000 7.232) 7.232 23.343 ( -0.000 -0.000 1.913) 1.913 23.486 ( 0.000 0.000 -6.169) 6.169 23.780 ( 0.000 0.000 -10.981) 10.981 23.874 ( 0.000 0.000 -0.331) 0.331 23.930 ( -0.000 -0.000 4.119) 4.119 24.204 ( -0.000 -0.000 1.825) 1.825 24.560 ( -0.000 -0.000 5.729) 5.729 24.882 ( 0.000 0.000 -15.075) 15.075 25.006 ( 0.000 0.000 -7.734) 7.734 25.098 ( 0.000 0.000 -0.638) 0.638 25.286 ( 0.000 0.000 -2.034) 2.034 25.416 ( -0.000 -0.000 9.859) 9.859 25.712 ( 0.000 0.000 -6.107) 6.107 25.946 ( 0.000 0.000 -7.746) 7.746 26.549 ( 0.000 0.000 -8.350) 8.350 26.710 ( 0.000 0.000 -1.823) 1.823 26.808 ( -0.000 -0.000 2.915) 2.915 26.927 ( -0.000 -0.000 3.208) 3.208 27.062 ( -0.000 -0.000 1.763) 1.763 27.227 ( -0.000 -0.000 4.437) 4.437 28.371 ( 0.000 0.000 -7.874) 7.874 28.508 ( -0.000 -0.000 2.748) 2.748 28.852 ( 0.000 0.000 -4.244) 4.244 29.515 ( 0.000 0.000 -0.900) 0.900 29.942 ( 0.000 0.000 -6.215) 6.215 30.071 ( 0.000 0.000 -1.169) 1.169 30.103 ( 0.000 0.000 -0.133) 0.133 30.388 ( -0.000 -0.000 13.092) 13.092 30.901 ( -0.000 -0.000 1.113) 1.113 31.113 ( 0.000 0.000 -1.846) 1.846 31.140 ( 0.000 0.000 -2.341) 2.341 31.592 ( -0.000 -0.000 2.314) 2.314 32.287 ( 0.000 0.000 -0.969) 0.969 ======================= Grid point 247 (104/105) ======================= q-point: (-0.44 0.44 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -18.792 0.000 -0.000) 18.792 3.492 ( -14.021 0.000 -0.000) 14.021 4.905 ( -7.938 0.000 -0.000) 7.938 4.958 ( 6.632 -0.000 0.000) 6.632 5.678 ( -25.348 0.000 -0.000) 25.348 5.852 ( 6.545 -0.000 0.000) 6.545 6.254 ( 3.860 -0.000 0.000) 3.860 6.974 ( -40.990 0.000 -0.000) 40.990 7.946 ( 3.605 -0.000 0.000) 3.605 8.237 ( 1.301 -0.000 0.000) 1.301 8.329 ( 0.575 -0.000 0.000) 0.575 9.085 ( 19.230 -0.000 0.000) 19.230 9.664 ( 4.909 -0.000 0.000) 4.909 9.682 ( 24.460 -0.000 0.000) 24.460 9.746 ( -7.262 0.000 -0.000) 7.262 10.527 ( 3.483 -0.000 0.000) 3.483 10.943 ( -43.838 0.000 -0.000) 43.838 11.485 ( -29.515 0.000 -0.000) 29.515 11.847 ( -9.497 0.000 -0.000) 9.497 12.577 ( 4.372 -0.000 0.000) 4.372 12.746 ( -13.886 0.000 -0.000) 13.886 13.402 ( 1.158 -0.000 0.000) 1.158 13.568 ( 11.486 -0.000 0.000) 11.486 14.263 ( 25.002 -0.000 0.000) 25.002 14.874 ( 7.979 -0.000 0.000) 7.979 15.584 ( -14.724 0.000 -0.000) 14.724 15.616 ( -8.227 0.000 -0.000) 8.227 15.824 ( 13.211 -0.000 0.000) 13.211 16.359 ( -2.810 0.000 -0.000) 2.810 16.575 ( -2.438 0.000 -0.000) 2.438 16.720 ( -2.842 0.000 -0.000) 2.842 17.143 ( 4.881 -0.000 0.000) 4.881 17.468 ( -9.152 0.000 -0.000) 9.152 17.503 ( -1.729 0.000 -0.000) 1.729 17.550 ( -17.474 0.000 -0.000) 17.474 17.723 ( 2.524 -0.000 0.000) 2.524 17.974 ( 11.155 -0.000 0.000) 11.155 18.104 ( -1.246 0.000 -0.000) 1.246 18.177 ( 22.699 -0.000 0.000) 22.699 18.275 ( 6.830 -0.000 0.000) 6.830 18.454 ( -1.809 0.000 -0.000) 1.809 18.554 ( -20.101 0.000 -0.000) 20.101 18.720 ( 6.218 -0.000 0.000) 6.218 19.141 ( -10.529 0.000 -0.000) 10.529 19.417 ( 4.963 -0.000 0.000) 4.963 20.020 ( -18.793 0.000 -0.000) 18.793 20.450 ( 10.245 -0.000 0.000) 10.245 20.454 ( 40.743 -0.000 0.000) 40.743 20.688 ( 22.138 -0.000 0.000) 22.138 20.928 ( -5.880 0.000 -0.000) 5.880 21.174 ( -7.778 0.000 -0.000) 7.778 21.312 ( 2.443 -0.000 0.000) 2.443 21.387 ( 0.945 -0.000 0.000) 0.945 21.582 ( -12.885 0.000 -0.000) 12.885 21.735 ( -2.352 0.000 -0.000) 2.352 21.890 ( -5.981 0.000 -0.000) 5.981 21.933 ( -0.853 0.000 -0.000) 0.853 22.209 ( -8.156 0.000 -0.000) 8.156 22.235 ( -13.284 0.000 -0.000) 13.284 22.416 ( 0.142 -0.000 0.000) 0.142 22.602 ( -0.711 0.000 -0.000) 0.711 22.673 ( -0.732 0.000 -0.000) 0.732 22.822 ( -2.402 0.000 -0.000) 2.402 23.393 ( -6.167 0.000 -0.000) 6.167 23.534 ( 1.198 -0.000 0.000) 1.198 23.880 ( -0.200 0.000 -0.000) 0.200 23.913 ( -1.807 0.000 -0.000) 1.807 23.922 ( 1.875 -0.000 0.000) 1.875 24.146 ( -0.899 0.000 -0.000) 0.899 24.538 ( -3.032 0.000 -0.000) 3.032 25.009 ( 6.223 -0.000 0.000) 6.223 25.052 ( 6.291 -0.000 0.000) 6.291 25.168 ( -2.136 0.000 -0.000) 2.136 25.180 ( 12.456 -0.000 0.000) 12.456 25.248 ( -2.959 0.000 -0.000) 2.959 25.759 ( 26.231 -0.000 0.000) 26.231 25.775 ( 1.036 -0.000 0.000) 1.036 26.209 ( 28.893 -0.000 0.000) 28.893 26.739 ( 0.234 -0.000 0.000) 0.234 26.847 ( 2.750 -0.000 0.000) 2.750 26.935 ( -4.596 0.000 -0.000) 4.596 27.014 ( 3.228 -0.000 0.000) 3.228 27.296 ( -9.362 0.000 -0.000) 9.362 28.493 ( -0.666 0.000 -0.000) 0.666 28.627 ( -16.496 0.000 -0.000) 16.496 28.900 ( -0.369 0.000 -0.000) 0.369 29.567 ( -4.007 0.000 -0.000) 4.007 30.094 ( -1.657 0.000 -0.000) 1.657 30.098 ( 0.682 -0.000 0.000) 0.682 30.102 ( -1.985 0.000 -0.000) 1.985 30.197 ( -1.853 0.000 -0.000) 1.853 30.897 ( -0.967 0.000 -0.000) 0.967 31.084 ( 7.311 -0.000 0.000) 7.311 31.133 ( 0.064 -0.000 0.000) 0.064 31.630 ( -5.541 0.000 -0.000) 5.541 32.282 ( 1.623 -0.000 0.000) 1.623 ======================= Grid point 280 (105/105) ======================= q-point: ( 0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -0.000 -0.000 -0.000) 0.000 3.349 ( -0.000 -0.000 -0.000) 0.000 4.801 ( -0.000 -0.000 -0.000) 0.000 5.022 ( -0.000 -0.000 -0.000) 0.000 5.453 ( -0.000 -0.000 -0.000) 0.000 5.969 ( -0.000 -0.000 -0.000) 0.000 6.292 ( -0.000 -0.000 -0.000) 0.000 6.491 ( -0.000 -0.000 -0.000) 0.000 7.982 ( -0.000 -0.000 -0.000) 0.000 8.250 ( -0.000 -0.000 -0.000) 0.000 8.337 ( -0.000 -0.000 -0.000) 0.000 9.276 ( -0.000 -0.000 -0.000) 0.000 9.690 ( -0.000 -0.000 -0.000) 0.000 9.914 ( -0.000 -0.000 -0.000) 0.000 10.029 ( -0.000 -0.000 -0.000) 0.000 10.307 ( 0.000 0.000 0.000) 0.000 10.549 ( -0.000 -0.000 -0.000) 0.000 11.030 ( -0.000 -0.000 -0.000) 0.000 11.805 ( -0.000 -0.000 -0.000) 0.000 12.595 ( -0.000 -0.000 -0.000) 0.000 12.603 ( -0.000 -0.000 -0.000) 0.000 13.414 ( -0.000 -0.000 -0.000) 0.000 13.712 ( -0.000 -0.000 -0.000) 0.000 14.568 ( -0.000 -0.000 -0.000) 0.000 14.955 ( -0.000 -0.000 -0.000) 0.000 15.394 ( -0.000 -0.000 -0.000) 0.000 15.535 ( -0.000 -0.000 -0.000) 0.000 15.964 ( -0.000 -0.000 -0.000) 0.000 16.334 ( -0.000 -0.000 -0.000) 0.000 16.544 ( -0.000 -0.000 -0.000) 0.000 16.692 ( -0.000 -0.000 -0.000) 0.000 17.202 ( -0.000 -0.000 -0.000) 0.000 17.352 ( -0.000 -0.000 -0.000) 0.000 17.373 ( -0.000 -0.000 -0.000) 0.000 17.489 ( -0.000 -0.000 -0.000) 0.000 17.759 ( -0.000 -0.000 -0.000) 0.000 18.094 ( -0.000 -0.000 -0.000) 0.000 18.149 ( -0.000 -0.000 -0.000) 0.000 18.278 ( -0.000 -0.000 -0.000) 0.000 18.348 ( -0.000 -0.000 -0.000) 0.000 18.430 ( 0.000 0.000 0.000) 0.000 18.458 ( -0.000 -0.000 -0.000) 0.000 18.784 ( -0.000 -0.000 -0.000) 0.000 19.021 ( -0.000 -0.000 -0.000) 0.000 19.467 ( -0.000 -0.000 -0.000) 0.000 19.787 ( -0.000 -0.000 -0.000) 0.000 20.588 ( -0.000 -0.000 -0.000) 0.000 20.833 ( -0.000 -0.000 -0.000) 0.000 20.969 ( -0.000 -0.000 -0.000) 0.000 21.095 ( 0.000 0.000 0.000) 0.000 21.108 ( -0.000 -0.000 -0.000) 0.000 21.136 ( -0.000 -0.000 -0.000) 0.000 21.397 ( 0.000 0.000 0.000) 0.000 21.484 ( -0.000 -0.000 -0.000) 0.000 21.722 ( -0.000 -0.000 -0.000) 0.000 21.738 ( -0.000 -0.000 -0.000) 0.000 21.858 ( -0.000 -0.000 -0.000) 0.000 22.111 ( 0.000 0.000 0.000) 0.000 22.116 ( -0.000 -0.000 -0.000) 0.000 22.426 ( -0.000 -0.000 -0.000) 0.000 22.592 ( -0.000 -0.000 -0.000) 0.000 22.670 ( -0.000 -0.000 -0.000) 0.000 22.826 ( -0.000 -0.000 -0.000) 0.000 23.322 ( -0.000 -0.000 -0.000) 0.000 23.545 ( -0.000 -0.000 -0.000) 0.000 23.879 ( -0.000 -0.000 -0.000) 0.000 23.883 ( -0.000 -0.000 -0.000) 0.000 23.937 ( -0.000 -0.000 -0.000) 0.000 24.149 ( -0.000 -0.000 -0.000) 0.000 24.506 ( -0.000 -0.000 -0.000) 0.000 25.088 ( -0.000 -0.000 -0.000) 0.000 25.107 ( -0.000 -0.000 -0.000) 0.000 25.146 ( -0.000 -0.000 -0.000) 0.000 25.200 ( -0.000 -0.000 -0.000) 0.000 25.309 ( -0.000 -0.000 -0.000) 0.000 25.781 ( -0.000 -0.000 -0.000) 0.000 26.034 ( -0.000 -0.000 -0.000) 0.000 26.638 ( -0.000 -0.000 -0.000) 0.000 26.742 ( -0.000 -0.000 -0.000) 0.000 26.768 ( -0.000 -0.000 -0.000) 0.000 26.874 ( -0.000 -0.000 -0.000) 0.000 27.045 ( -0.000 -0.000 -0.000) 0.000 27.187 ( -0.000 -0.000 -0.000) 0.000 28.449 ( -0.000 -0.000 -0.000) 0.000 28.487 ( -0.000 -0.000 -0.000) 0.000 28.897 ( -0.000 -0.000 -0.000) 0.000 29.525 ( -0.000 -0.000 -0.000) 0.000 30.077 ( -0.000 -0.000 -0.000) 0.000 30.083 ( -0.000 -0.000 -0.000) 0.000 30.104 ( -0.000 -0.000 -0.000) 0.000 30.178 ( -0.000 -0.000 -0.000) 0.000 30.889 ( -0.000 -0.000 -0.000) 0.000 31.133 ( 0.000 0.000 0.000) 0.000 31.165 ( -0.000 -0.000 -0.000) 0.000 31.567 ( -0.000 -0.000 -0.000) 0.000 32.298 ( -0.000 -0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/51840 10.0 96.238 10.030 30.693 0.000 0.000 -0.000 3/51840 20.0 133.608 19.607 158.411 0.000 -0.000 -0.000 3/51840 30.0 44.464 18.530 48.533 0.000 -0.000 -0.000 3/51840 40.0 26.249 15.228 26.139 0.000 0.000 -0.000 3/51840 50.0 19.322 12.761 18.427 0.000 0.000 0.000 3/51840 60.0 15.678 11.050 14.604 0.000 0.000 0.000 3/51840 70.0 13.452 9.843 12.330 0.000 0.000 0.000 3/51840 80.0 11.976 8.963 10.840 0.000 0.000 0.000 3/51840 90.0 10.936 8.297 9.802 0.000 0.000 0.000 3/51840 100.0 10.166 7.776 9.042 0.000 0.000 0.000 3/51840 110.0 9.570 7.354 8.462 0.000 0.000 0.000 3/51840 120.0 9.089 7.001 8.003 0.000 0.000 0.000 3/51840 130.0 8.689 6.698 7.625 0.000 0.000 0.000 3/51840 140.0 8.345 6.432 7.306 0.000 0.000 0.000 3/51840 150.0 8.043 6.193 7.028 0.000 0.000 0.000 3/51840 160.0 7.774 5.977 6.782 0.000 0.000 0.000 3/51840 170.0 7.529 5.777 6.560 0.000 0.000 0.000 3/51840 180.0 7.305 5.592 6.357 0.000 0.000 0.000 3/51840 190.0 7.097 5.420 6.169 0.000 0.000 0.000 3/51840 200.0 6.904 5.258 5.994 0.000 0.000 0.000 3/51840 210.0 6.723 5.105 5.830 0.000 0.000 0.000 3/51840 220.0 6.552 4.961 5.675 0.000 0.000 0.000 3/51840 230.0 6.391 4.824 5.528 0.000 0.000 0.000 3/51840 240.0 6.238 4.694 5.389 0.000 0.000 0.000 3/51840 250.0 6.093 4.571 5.257 0.000 0.000 0.000 3/51840 260.0 5.955 4.453 5.131 0.000 0.000 0.000 3/51840 270.0 5.823 4.341 5.011 0.000 0.000 0.000 3/51840 280.0 5.696 4.234 4.896 0.000 0.000 0.000 3/51840 290.0 5.575 4.132 4.786 0.000 0.000 0.000 3/51840 300.0 5.459 4.035 4.681 0.000 0.000 0.000 3/51840 310.0 5.348 3.941 4.580 0.000 0.000 0.000 3/51840 320.0 5.241 3.852 4.483 0.000 0.000 0.000 3/51840 330.0 5.138 3.766 4.390 0.000 0.000 0.000 3/51840 340.0 5.039 3.684 4.301 0.000 0.000 0.000 3/51840 350.0 4.944 3.606 4.214 0.000 0.000 0.000 3/51840 360.0 4.852 3.530 4.132 0.000 0.000 0.000 3/51840 370.0 4.763 3.457 4.052 0.000 0.000 0.000 3/51840 380.0 4.677 3.387 3.975 0.000 0.000 0.000 3/51840 390.0 4.594 3.320 3.901 0.000 0.000 0.000 3/51840 400.0 4.514 3.256 3.829 0.000 0.000 0.000 3/51840 410.0 4.436 3.193 3.760 0.000 0.000 0.000 3/51840 420.0 4.361 3.133 3.693 0.000 0.000 0.000 3/51840 430.0 4.289 3.075 3.629 0.000 0.000 0.000 3/51840 440.0 4.218 3.019 3.566 0.000 0.000 0.000 3/51840 450.0 4.150 2.965 3.506 0.000 0.000 0.000 3/51840 460.0 4.084 2.913 3.447 0.000 0.000 0.000 3/51840 470.0 4.020 2.863 3.391 0.000 0.000 0.000 3/51840 480.0 3.958 2.814 3.336 0.000 0.000 0.000 3/51840 490.0 3.897 2.767 3.283 0.000 0.000 0.000 3/51840 500.0 3.838 2.722 3.231 0.000 0.000 0.000 3/51840 510.0 3.781 2.677 3.181 0.000 0.000 0.000 3/51840 520.0 3.726 2.635 3.133 0.000 0.000 0.000 3/51840 530.0 3.672 2.593 3.086 0.000 0.000 0.000 3/51840 540.0 3.620 2.553 3.040 0.000 0.000 0.000 3/51840 550.0 3.569 2.514 2.995 0.000 0.000 0.000 3/51840 560.0 3.519 2.476 2.952 0.000 0.000 0.000 3/51840 570.0 3.471 2.439 2.910 0.000 0.000 0.000 3/51840 580.0 3.423 2.404 2.869 0.000 0.000 0.000 3/51840 590.0 3.378 2.369 2.830 0.000 0.000 0.000 3/51840 600.0 3.333 2.335 2.791 0.000 0.000 0.000 3/51840 610.0 3.289 2.302 2.753 0.000 0.000 0.000 3/51840 620.0 3.247 2.270 2.716 0.000 0.000 0.000 3/51840 630.0 3.205 2.239 2.681 0.000 0.000 0.000 3/51840 640.0 3.165 2.209 2.646 0.000 0.000 0.000 3/51840 650.0 3.126 2.180 2.612 0.000 0.000 0.000 3/51840 660.0 3.087 2.151 2.579 0.000 0.000 0.000 3/51840 670.0 3.049 2.123 2.546 0.000 0.000 0.000 3/51840 680.0 3.013 2.096 2.515 0.000 0.000 0.000 3/51840 690.0 2.977 2.069 2.484 0.000 0.000 0.000 3/51840 700.0 2.942 2.044 2.454 0.000 0.000 0.000 3/51840 710.0 2.908 2.018 2.425 0.000 0.000 0.000 3/51840 720.0 2.874 1.994 2.396 0.000 0.000 0.000 3/51840 730.0 2.841 1.970 2.368 0.000 0.000 0.000 3/51840 740.0 2.809 1.946 2.341 0.000 0.000 0.000 3/51840 750.0 2.778 1.923 2.314 0.000 0.000 0.000 3/51840 760.0 2.747 1.901 2.288 0.000 0.000 0.000 3/51840 770.0 2.717 1.879 2.262 0.000 0.000 0.000 3/51840 780.0 2.688 1.858 2.237 0.000 0.000 0.000 3/51840 790.0 2.659 1.837 2.213 0.000 0.000 0.000 3/51840 800.0 2.631 1.816 2.189 0.000 0.000 0.000 3/51840 810.0 2.603 1.796 2.165 0.000 0.000 0.000 3/51840 820.0 2.576 1.777 2.143 0.000 0.000 0.000 3/51840 830.0 2.550 1.757 2.120 0.000 0.000 0.000 3/51840 840.0 2.524 1.739 2.098 0.000 0.000 0.000 3/51840 850.0 2.499 1.720 2.076 0.000 0.000 0.000 3/51840 860.0 2.474 1.702 2.055 0.000 0.000 0.000 3/51840 870.0 2.449 1.685 2.035 0.000 0.000 0.000 3/51840 880.0 2.425 1.667 2.014 0.000 0.000 0.000 3/51840 890.0 2.402 1.650 1.994 0.000 0.000 0.000 3/51840 900.0 2.379 1.634 1.975 0.000 0.000 0.000 3/51840 910.0 2.356 1.618 1.956 0.000 0.000 0.000 3/51840 920.0 2.334 1.602 1.937 0.000 0.000 0.000 3/51840 930.0 2.312 1.586 1.919 0.000 0.000 0.000 3/51840 940.0 2.291 1.571 1.900 0.000 0.000 0.000 3/51840 950.0 2.269 1.556 1.883 0.000 0.000 0.000 3/51840 960.0 2.249 1.541 1.865 0.000 0.000 0.000 3/51840 970.0 2.229 1.527 1.848 0.000 0.000 0.000 3/51840 980.0 2.209 1.512 1.831 0.000 0.000 0.000 3/51840 990.0 2.189 1.498 1.815 0.000 0.000 0.000 3/51840 1000.0 2.170 1.485 1.799 0.000 0.000 0.000 3/51840 Thermal conductivity related properties were written into "kappa-m13180.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:05:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|